Hydrogen cyanide (Hydrocyanic acid; HCN) [CHN] by Asch

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Reaxys ID 1718793 View in Reaxys

1/1 CAS Registry Number: 74-90-8 Chemical Name: hydrogen cyanide; hydrocyanic acid Linear Structure Formula: (HCN) Molecular Formula: CHN Molecular Weight: 27.0256 Type of Substance: acyclic; Isotope or isotope containing compound InChI Key: LELOWRISYMNNSU-UHFFFAOYSA-N Note:

Substance Label (8) Label References 1

Ritson, Dougal J.; Xu, Jiangfeng; Sutherland, John D.; Synlett; vol. 28; nb. 1; (2017); p. 64 - 67; Art.No: ST-2016-S0500-C, View in Reaxys

Formula II

Patent; MICROMIDAS, INC.; WOOD, Alex, B.; MASUNO, Makoto, Nathanael; SMITH, Ryan, L.; BISSELL, John, Albert, II; ARAIZA, Robert, Joseph; HIRSCH-WEIL, Dimitri, A.; (189 pag.); WO2016/33348; (2016); (A1) English, View in Reaxys

Ismael; Fausto; Cristiano; Journal of Organic Chemistry; vol. 81; nb. 23; (2016); p. 11656 - 11663, View in Reaxys

HCN

Khaikin; Grikina; Zhilinskii; Zhilinskaya; Baskir; Nepomnyashchii; Fomicheva; Proskurnina; Russian Chemical Bulletin; vol. 47; nb. 9; (1998); p. 1653 - 1665, View in Reaxys; Devra; Jain; Sharma; International Journal of Chemical Kinetics; vol. 26; nb. 5; (1994); p. 577 - 586, View in Reaxys; Shirota, Frances N.; Goon, David J.W.; DeMaster, Eugene G.; Nagasawa, Herbert T.; Biochemical Pharmacology; vol. 52; nb. 1; (1996); p. 141 - 147, View in Reaxys; Johnson, Dean V.; Felfer, Ulfried; Griengl, Herfried; Tetrahedron; vol. 56; nb. 5; (2000); p. 781 - 790, View in Reaxys; Sigman, Matthew S.; Vachal, Petr; Jacobsen, Eric N.; Angewandte Chemie (International Edition in English); vol. 39; nb. 7; (2000); p. X1279-1281, View in Reaxys; Nogami, Hiroyuki; Matsunaga, Shigeki; Kanai, Motomu; Shibasaki, Masakatsu; Tetrahedron Letters; vol. 42; nb. 2; (2001); p. 279 - 283, View in Reaxys; Buehler, Holger; Bayer, Andreas; Effenberger, Franz; Chemistry--A European Journal; vol. 6; nb. 14; (2000); p. 2564 - 2571, View in Reaxys; Takamura, Masahiro; Hamashima, Yoshitaka; Usuda, Hiroyuki; Kanai, Motomu; Shibasaki, Masakatsu; Angewandte Chemie (International Edition in English); vol. 39; nb. 9; (2000); p. X1650-1652, View in Reaxys; Goertz, Wolfgang; Chemistry - A European Journal; vol. 7; nb. 8; (2001); p. 1614 - 1618, View in Reaxys; Jan Gerrits, Pieter; Zumbraegel, Friedhelm; Marcus, Jan; Tetrahedron; vol. 57; nb. 41; (2001); p. 8691 - 8698, View in Reaxys; Liu; Feng; Chen; Zhang; Cui; Jiang; Synlett; nb. 10; (2001); p. 1551 - 1554, View in Reaxys; Roda, Gabriella; Riva, Sergio; Danieli, Bruno; Griengl, Herfried; Rinner, Uwe; Schmidt, Michael; Mackova Zabelinskaja, Antonina; Tetrahedron; vol. 58; nb. 15; (2002); p. 2979 - 2983, View in Reaxys; Chen, Peiran; Han, Shiqing; Lin, Guoqiang; Huang, Hao; Li, Zuyi; Tetrahedron Asymmetry; vol. 12; nb. 23; (2001); p. 3273 - 3279, View in Reaxys; Effenberger, Franz; Roos, Juergen; Kobler, Christoph; Buehler, Holger; Canadian Journal of Chemistry; vol. 80; nb. 6; (2002); p. 671 - 679, View in Reaxys; Roos, Juergen; Effenberger, Franz; Tetrahedron Asymmetry; vol. 13; nb. 17; (2002); p. 1855 - 1862, View in Reaxys; Solis, Aida; Luna, Hector; Perez, Herminia I.; Manjarrez, Norberto; Tetrahedron Asymmetry; vol. 14; nb. 16; (2003); p. 2351 - 2353, View in Reaxys; Wenzel, Anna G.; Lalonde, Mathieu P.; Jacobsen, Eric N.; Synlett; nb. 12; (2003); p. 1919 - 1922, View in Reaxys; Kato, Nobuki; Suzuki, Masato; Kanai, Motomu; Shibasaki, Masakatsu; Tetrahedron Letters; vol. 45; nb. 15; (2004); p. 3153 3155, View in Reaxys; Jiao, Zhigang; Feng, Xiaoming; Liu, Bo; Chen, Fuxue; Zhang, Guolin; Jiang, Yaozhong; European Journal of Organic Chemistry; nb. 19; (2003); p. 3818 - 3826, View in Reaxys; Wada, Yukinori; Mori, Takashi; Ichikawa, Junji; Chemistry Letters; vol. 32; nb. 11; (2003); p. 1000 - 1001, View in Reaxys; Tromp, Reynier A.; Brussee, Johannes; Van der Gen, Arne; Organic and Biomolecular Chemistry; vol. 1; nb. 20; (2003); p. 3592 - 3599, View in Reaxys; Burkhart, David J.; McKenzie, Andrew R.; Nelson, Jared K.; Myers, Katherine I.; Zhao, Xue; Magnusson, Kathy R.; Natale, Nicholas R.; Organic Letters; vol. 6; nb. 8; (2004); p. 1285 - 1288, View in Reaxys; Kobler, Christoph; Effenberger, Franz; Tetrahedron Asymmetry; vol. 15; nb. 23; (2004); p. 3731 - 3742, View in Reaxys; Kobler, Christoph; Bohrer, Anja; Effenberger, Franz; Tetrahedron; vol. 60; nb. 46 SPEC. ISS.; (2004); p. 10397 - 10410, View in Reaxys; Avi, Manuela; Fechter, Martin H.; Gruber, Karl; Belaj, Ferdinand; Poechlauer, Peter; Griengl, Herfried; Tetrahedron; vol. 60; nb. 46 SPEC. ISS.; (2004); p. 10411 - 10418, View in Reaxys; Van Langen, Luuk M.; Selassa, Rhoderick P.; Van Rantwijk, Fred; Sheldon, Roger A.; Organic Letters; vol. 7; nb. 2; (2005); p. 327 - 329, View in Reaxys; Huang, Jinkun; Corey; Organic Letters; vol. 6; nb. 26; (2004); p. 5027 - 5029, View in Reaxys; Tsogoeva, Svetlana B.; Yalalov, Denis A.; Hateley, Martin J.; Weckbecker, Christoph; Huthmacher, Klaus; European Journal of Organic Chemistry; nb. 23; (2005); p. 4995 - 5000, View in Reaxys; Gaisberger, Richard P.; Fechter, Martin H.; Griengl, Herfried; Tetrahedron Asymmetry; vol. 15; nb. 18; (2004); p. 2959 - 2963, View in Reaxys; Vugts, Danielle J.; Veum, Lars; Al-Mafraji, Kanar; Lemmens, Renske; Schmitz, Rob F.; De Kanter, Frans J. J.; Groen, Marinus B.; Hanefeld, Ulf; Orru, Romano V. A.; European Journal of Organic Chemistry; nb. 7; (2006); p. 1672 - 1677, View in Reaxys; Rueping, Magnus; Sugiono, Erli; Azap, Cengiz; Angewandte Chemie - International Edition; vol. 45; nb. 16; (2006); p. 2617 - 2619, View in Reaxys; Berkessel, Albrecht; Mukherjee, Santanu; Lex, Johann; Synlett; nb. 1; (2006); p. 41 - 44; Art.No: G29605ST, View in Reaxys; Popil'nichenko; Pil'o; Brovarets; Cherne-

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ga; Drach; Russian Journal of General Chemistry; vol. 75; nb. 11; (2005); p. 1816 - 1820, View in Reaxys; Shiers, Jason J.; Clarkson, Guy J.; Shipman, Michael; Hayes, Jerome F.; Chemical Communications; vol. 6; nb. 6; (2006); p. 649 - 651, View in Reaxys; Sakakibara, Tohru; Narumi, Shinya; Matsuo, Ichiro; Okada, Saeko; Nakamura, Takanori; Carbohydrate Research; vol. 342; nb. 16; (2007); p. 2339 - 2353, View in Reaxys; Corey; Grogan, Michael J.; Organic Letters; vol. 1; nb. 1; (1999); p. 157 - 160, View in Reaxys; Bini, Laura; Mueller, Christian; Wilting, Jos; Von Chrzanowski, Lars; Spek, Anthony L.; Vogt, Dieter; Journal of the American Chemical Society; vol. 129; nb. 42; (2007); p. 12622 - 12623, View in Reaxys; Kanemitsu, Takuya; Yamashita, Yuki; Nagata, Kazuhiro; Itoh, Takashi; Heterocycles; vol. 74; nb. C; (2007); p. 199 - 203, View in Reaxys; Purkarthofer, Thomas; Pabst, Thomas; Van Den Broek, Cor; Griengl, Herfried; Maurer, Oliver; Skranc, Wolfgang; Organic Process Research and Development; vol. 10; nb. 3; (2006); p. 618 - 621, View in Reaxys; Rahm, Martin; Belanger-Chabot, Guillaume; Haiges, Ralf; Christe, Karl O.; Angewandte Chemie - International Edition; vol. 53; nb. 27; (2014); p. 6893 6897, View in Reaxys; Patent; INVISTA NORTH AMERICA S.A R.L.; TENN, William J. III; (44 pag.); WO2015/200630; (2015); (A1) English, View in Reaxys 11

Patel, Bhavesh H.; Percivalle, Claudia; Ritson, Dougal J.; Duffy, Colm D.; Sutherland, John D.; Nature Chemistry; vol. 7; nb. 4; (2015); p. 301 - 307, View in Reaxys

Nunes, Claudio M.; Reva, Igor; Pinho E Melo, Teresa M. V. D.; Fausto, Rui; Journal of Organic Chemistry; vol. 77; nb. 19; (2012); p. 8723 - 8732,10, View in Reaxys

III

Patent; Japan Science and Technology Corporation; US6339159; (2002); (B1) English, View in Reaxys

Van Muijlwijk-Koezen, Jacqueline E.; Timmerman, Henk; Van Der Goot, Henk; Menge, Wiro M. P. B.; Von Drabbe Kuenzel, Jacobien Frijtag; De Groote, Miriam; Ijzerman, Adriaan P.; Journal of Medicinal Chemistry; vol. 43; nb. 11; (2000); p. 2227 - 2238, View in Reaxys

Patent-Specific Data (4) Prophetic ComLocation in Patent References pound Patent; ACIB GmbH; Technische Universität Graz; Wiedner, Romana; Steiner, Kerstin; Glieder, Anton; Schwab, Helmut; EP2955225; (2015); (A1) English, View in Reaxys Page/Page column

Patent; Evonik Degussa GmbH; Galle, Markus; Grund, Gerda; Hengstermann, Axel; Hinton, Michael D.; Hirsch, Rolf; Jansen, Robert; Knoop, Cord; Lettmann, Christian; Lippe, Juergen; Maier, Martin; Nitz, Joerg-Joachim; Orschel, Matthias; Ortelt, Martina; Richter, Norbert; Rix, Armin; Schwarz, Markus; Streukens, Guido; US2013/253226; (2013); (A1) English, View in Reaxys; Patent; Osaka City University; HIROTSUNE, Shinji; EP2647386; (2013); (A1) English, View in Reaxys Patent; FRED HUTCHINSON CANCER RESEARCH CENTER; WO2005/39291; (2005); (A2) English, View in Reaxys

prophetic product

Patent; Brophy, John H.; Pesa, Frederick A.; Tonkovich, Anna Lee; McDaniel, Jeffrey S.; Jarosch, Kai Tod Paul; US2004/220434; (2004); (A1) English, View in Reaxys

Druglikeness (1) 1 of 1

LogP

-0.357

H Bond Donors

H Bond Acceptors

Rotatable Bonds

TPSA

23.79

Lipinski Number

Veber Number

Related Structure (10) Related Structure References Graner; Spectrochimica Acta; vol. 19; (1963); p. 2113, View in Reaxys; Hollas; Sutherley; Molecular Physics; vol. 24; (1972); p. 1123,1124 - 1127, View in Reaxys; Samotus et al.; Journal of Inorganic and Nuclear Chemistry; vol. 41; (1979); p. 1129, View in Reaxys Aus ramanspektroskopischen Untersuchungen ergibt sich, dass fluessiger Cyanwasserstoff keine Beimengung der

Herzberg; Journal of Chemical Physics; vol. 8; (1940); p. 847, View in Reaxys; Gordy; Williams; Journal of Chemical Physics; vol. 4; (1936); p. 86, View in Reaxys; Reichel; Strasser; Chemische Berichte; vol. 64; (1931); p. 1998, View in Reaxys; Kusch; Hustrulid; Tate; Physical Review; vol. <2> 52; (1937); p. 844, View in Reaxys; Dadieu; Naturwissenschaften; vol. 18; (1930); p. 895, View in Reaxys; Dadieu; Chemische Berichte; vol. 64; (1931); p. 361, View in Reaxys; Dadieu; Monatshefte fuer Chemie; vol. 57; (1931); p. 468, View in Reaxys; Herzberg,G.; Molecular Spectra and Molecular Structure, Bd. II <New York 1945> S. 280, View in Reaxys

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Isonitrilform HN:C enthaelt. angab Dicyanimid, sondern das Trinatriumsalz bzw. Trikaliumsalz des Tricyanmelamins (Syst. Nr. 3889).

Franklin; Journal of the American Chemical Society; vol. 44; (1922); p. 504, View in Reaxys; Madelung; Kern; Justus Liebigs Annalen der Chemie; vol. 427; (1922); p. 29, View in Reaxys; Hoard; Journal of the American Chemical Society; vol. 60; (1938); p. 1194, View in Reaxys; Pauling; Sturdivant; Proceedings of the National Academy of Sciences of the United States of America; vol. 23; p. 619; Chem. Zentralbl.; vol. 109; nb. II; (1938); p. 560, View in Reaxys; Franklin,E.C.; The nitrogen system of compounds <New York 1935> S. 105 Anm. 131, View in Reaxys

Entgegen den E I Willey; Rideal; Journal of the Chemical Society; (1927); p. 677, View in Reaxys 2, 23, Z. 8 v.u. mitgeteilten Angaben bildet sich Blausaeure nicht bei der Einwirkung von aktivem Stickstoff auf Methan. trimolekularen Methylenaminoacetonitrils zu (vgl. S. 88); die H 2, 89 aufgefuehrte Substanz, die sich stets neben dem trimolekularen Methylenaminoacetonitril bildet, ist als Methylen-bisiminodiacetontril C9H10N6 erkannt worden.

Delepine; Bulletin de la Societe Chimique de France; vol. <4> 39; (1926); p. 1439, View in Reaxys; Rinehart; Journal of the American Chemical Society; vol. 48; (1926); p. 2794, View in Reaxys; Rinehart; Johnson; Journal of the American Chemical Society; vol. 46; (1924); p. 1653, View in Reaxys; Johnson; Rinehart; Journal of the American Chemical Society; vol. 46; (1924); p. 768, View in Reaxys; Delepine; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 183; (1926); p. 60; Bulletin de la Societe Chimique de France; vol. <4> 39; (1926); p. 1439, View in Reaxys

Bei der Synthese von Oxyaldehyden durch Kondensation bestimmter Phenole mit HCl + HCN in Gegenwart von wasserfreiem Zinkchlorid nach Gattermann (vgl. H 2, 37, Z. 21-24 v.o.) kann Zinkcyanid an die Stelle von HCN + ZnCl treten.

Adams; Levine; Journal of the American Chemical Society; vol. 45; (1923); p. 2377, View in Reaxys

Constitution.

Chattaway; Wadmore; Journal of the Chemical Society; vol. 81; (1902); p. 200, View in Reaxys; Michael; Hibbert; Justus Liebigs Annalen der Chemie; vol. 364; (1909); p. 71,73, View in Reaxys; Nef; Justus Liebigs Annalen der Chemie; vol. 287; (1895); p. 277, View in Reaxys; Peratoner; Palazzo; Gazzetta Chimica Italiana; vol. 38 I; (1908); p. 107, View in Reaxys; Peratoner; Palazzo; Atti della Accademia Nazionale dei Lincei, Classe di Scienze Fisiche, Matematiche e Naturali, Rendiconti; vol. <5> 16 II; (1907); p. 501, View in Reaxys; Kieseritzky; Zeitschrift fuer Physikalische Chemie, Stoechiometrie und Verwandtschaftslehre; vol. 28; (1899); p. 406, View in Reaxys; Bruehl; Zeitschrift fuer Physikalische Chemie, Stoechiometrie und Verwandtschaftslehre; vol. 16; (1895); p. 519, View in Reaxys; Bruehl; Chemische Berichte; vol. 26; (1893); p. 809, View in Reaxys; Lemoult; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 143; (1906); p. 903, View in Reaxys; Wade; Journal of the Chemical Society; vol. 81; (1902); p. 1604, View in Reaxys

Beim Erhitzen von Quecksilber(II)-cyanid mit Alkalicyaniden entsteht nicht, wie.

Bannow; Chemische Berichte; vol. 13; (1880); p. 2201, View in Reaxys; Bannow; Chemische Berichte; vol. 4; (1871); p. 253; Chemische Berichte; vol. 13; (1880); p. 2201, View in Reaxys

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zusammenfassende Darstellung.

Koehler; H.; Die Industrie der Cyanverbindungen <Braunschweig 1914>, View in Reaxys; Perona; V.; L'acido cianidrico nel regno vegetale e glucosidi cianogenetici scoperti e studiati nell ultimo decennio <Turin 1907>, View in Reaxys; Donath; E.; Frenzel; K.; Die technische Ausnutzung des atmosphaerischen Stickstoffs <Leipzig und Wien 1907>, View in Reaxys; Bertelsmann; W.; Die Technologie der Cyanverbindungen <Muenchen und Berlin 1906>, View in Reaxys; Robine; L'industrie des cyanures <Paris 1903>, View in Reaxys; Boessner; Fr.; Die Verwertung der ausgebrauchten Gasmasse auf Blutlaugensalz, Ammoniak- und Rhodanverbindungen <Leipzig und Wien 1902>, View in Reaxys; Feuerbach; Die Cyanverbindungen <Wien 1896>, View in Reaxys

Dem bei der Ein- Beilstein Handbook, View in Reaxys wirkung von Formaldehyd auf KCN und Ammoniumchlorid entstehenden Reaktionsprodukt, das H 2, 89; E I 2, 37 als C6H8N4 (dimolekulares Methylenaminoacetonitril) beschrieben ist, kommt die Formel C9H12N6 eines. Derivative (439) Comment (Derivative)

Derivative

References

<Os(NO) (CN)3(H2O)2>: IR

Nikolskii et al.; Theoretical and Experimental Chemistry; vol. 15; (1979); p. 153; Teoreticheskaya i Eksperimental'naya Khimiya; vol. 15; (1979); p. 196, View in Reaxys

<Ru(NO) (CN)3(H2O)2>: IR

Nikolskii et al.; Theoretical and Experimental Chemistry; vol. 15; (1979); p. 153; Teoreticheskaya i Eksperimental'naya Khimiya; vol. 15; (1979); p. 196, View in Reaxys

K2<Ru(NO) (CN)5>*2H2O: IR

Nikolskii et al.; Theoretical and Experimental Chemistry; vol. 15; (1979); p. 153; Teoreticheskaya i Eksperimental'naya Khimiya; vol. 15; (1979); p. 196, View in Reaxys

Na2<Fe(NO) (CN)5>*2H2O: IR

Nikolskii et al.; Theoretical and Experimental Chemistry; vol. 15; (1979); p. 153; Teoreticheskaya i Eksperimental'naya Khimiya; vol. 15; (1979); p. 196, View in Reaxys

K-monocyanid, KCN: Dissoziationsenergie

L'vov; Pelieva; Journal of Applied Spectroscopy; vol. 31; (1979); p. 1078, View in Reaxys

Cs-monocyanid, CsCN: Dissoziationsenergie

L'vov; Pelieva; Journal of Applied Spectroscopy; vol. 31; (1979); p. 1078, View in Reaxys

Li-monocyanid, LiCN: Dissoziationsenergie

L'vov; Pelieva; Journal of Applied Spectroscopy; vol. 31; (1979); p. 1078, View in Reaxys

Na-monocyanid, NaCN: Dissoziationsenergie

L'vov; Pelieva; Journal of Applied Spectroscopy; vol. 31; (1979); p. 1078, View in Reaxys

Rb-monocyanid, RbCN: Dissoziationsenergie

L'vov; Pelieva; Journal of Applied Spectroscopy; vol. 31; (1979); p. 1078, View in Reaxys

Kaliumcyanid: Brillonin scattering in single crystals

Satija; Wang; Journal of Chemical Physics; vol. 70; (1979); p. 4437, View in Reaxys

Natriumcyanid: Brillonin scattering in single crystals

Satija; Wang; Journal of Chemical Physics; vol. 70; (1979); p. 4437, View in Reaxys

Komplex m. oxidierter Cyto-

Babcock; Salmeen; Biochemistry; vol. 18; (1979); p. 2493,2495, View in Reaxys

5/296

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chrom-Oxidase; Raman-Sp. K-Salz. Rk. m. Octylmethansulfonat (2). Geschw'konst.

Landini et al.; Journal of the American Chemical Society; vol. 101; (1979); p. 2526,2530, View in Reaxys

Bariummonocyanid BaCN: Emiss.u.Abs.-Sp.; Atomisierungsenergie

L'vov; Pelieva; Journal of Applied Spectroscopy; vol. 31; (1979); p. 823,827, View in Reaxys

KCN: Rk. mit 9-αChlorbenzyl-anthracen:Produktverteilung

Takagi,M. et al.; Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999); (1979); p. 2948 - 2953, View in Reaxys

Calciummonocyanid CaCN: Emiss.u.Abs.-Sp.; Atomisierungsenergie

L'vov; Pelieva; Journal of Applied Spectroscopy; vol. 31; (1979); p. 823,827, View in Reaxys

KCN : anodisches Aufloesungsvermoegen von Gold : Kinetik

Pan; Wan; Journal of Chemical Technology and Biotechnology; vol. 29; nb. 7; (1979); p. 427 - 432, View in Reaxys

Strontiummonocyanid SrCN: Emiss.u.Abs.-Sp.; Atomisierungsenergie

L'vov; Pelieva; Journal of Applied Spectroscopy; vol. 31; (1979); p. 823,827, View in Reaxys

K+-Salz, Film auf Ag-Flaeche: Raman-Sp.; Auger-Elektron-Sp.

Bergman et al.; Chemical Physics Letters; vol. 68; (1979); p. 412,413, 414, View in Reaxys

Cyanid-Ion (Tetraethylammonium-Salz): elektrochem. Oxidation (E1/2)

Canquis; Serve; Bulletin de la Societe Chimique de France; vol. <II>; (1979); p. 145,149,151, View in Reaxys

NH4CN: aus Diaminomaleonitril (2), Formamidinacetat; F: 30-30.5 (subl.); NMR

Shuman et al.; Journal of Organic Chemistry; vol. 44; (1979); p. 4532,4535, View in Reaxys

KCN:Rk. mit 10Chlor-9-diphenylmethylen-9.10-dihydroanthracen:Produktverteilung

Takagi,M. et al.; Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999); (1979); p. 2941 - 2947, View in Reaxys

NaCN: Rk. mit 2<Bis-(methylthio)methyliden>-indan-dion 3a: Produktanalyse, Reaktivitaet

Augustin; Groth Ch.; Kristen; et al.; Journal fur Praktische Chemie; vol. 321; nb. 2; (1979); p. 205 - 214, View in Reaxys

NH4CN: F: 30-30.5 (vergl. J. Gay-Lussac, Beilstein Handbuch der org. Chemie, Hauptwerke, Band II, 40-41,

Shuman et al.; Journal of Organic Chemistry; vol. 44; (1979); p. 4532,4535, View in Reaxys

6/296

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Syst.-No. 156, F: 36grad) Komplex: cis<Ni(CN)2(H2P.PH 2)> in Acetonitril / Tetraathylammoniumperchlorat : voltametr. Kurven, Halbwellenpotential, Geschw.konst. fur Elektronentransfer, Aktivierungsparameter

Magno et al.; Journal of the Chemical Society, Faraday Transactions 1: Physical Chemistry in Condensed Phases; vol. 75; (1979); p. 1330,1333, View in Reaxys

K-salz: Rk. mit 1,6-Naphthyridin (I) und AcCl, Propionylchlorid, Butyrylchlorid, PhCOCl in CH2Cl2/Wasser in Ggw. von TEBA: Produktverteilung (IV und VII; V und VIII; VI und IX bzw.X)

Hamada; Shigemura; Yakugaku Zasshi; vol. 99; (1979); p. 982,983,987, View in Reaxys

K3Fe(CN)6 : Pulsradiolyse von Na-Laurylsulfat (NaLS) in N2Ogesott. wss. Lsg. in Ggw. von K3Fe(CN)6 bei 25grad; Bldg. von NaLS-MonomerRadikalen, Geschw. konst. fur Rk. der Monomer-Radikale mit Fe(CN)63-, Zusatz von Pentanol bzw. Cyclohexan

Almgren et al.; Journal of the Chemical Society, Faraday Transactions 1: Physical Chemistry in Condensed Phases; vol. 75; (1979); p. 1674,1682, View in Reaxys

KCN: Rk. mit HF: Prod., IR

Ault; Journal of Physical Chemistry; vol. 83; (1979); p. 2634, View in Reaxys

CsCN: Rk. mit HF: Prod., IR

Ault; Journal of Physical Chemistry; vol. 83; (1979); p. 2634, View in Reaxys

NaCN: Rk. mit HF: Prod., IR

Ault; Journal of Physical Chemistry; vol. 83; (1979); p. 2634, View in Reaxys

Photodissociation data

Band et al.; Journal of Chemical Physics; vol. 68; (1978); p. 2705, View in Reaxys

Fe(CN)64-: Best. d. Titr. m. Mn3+

Rukmini et al.; Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical and Analytical; vol. 16; (1978); p. 915, View in Reaxys

NaCN*2H2O: Krist.struktur

van Rij; Britton; Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry; vol. 34; (1978); p. 2080, View in Reaxys

Kaliumcyanid. Elastic interaction

Mokross; Pirc; Journal of Chemical Physics; vol. 68; (1978); p. 4823, View in Reaxys

K-salz: RamanSp. bei versch. Drucken

Adams; Sharma; Journal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics; vol. 74; (1978); p. 1355,1359-1363,1364, View in Reaxys

Na-salz: RamanSp. bei versch. Drucken

Adams; Sharma; Journal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics; vol. 74; (1978); p. 1355,1359-1363,1364, View in Reaxys

7/296

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Cu(I)-Salz: aus CuSO4, NaHSO3 u. K14CN

Hayashi; Toga; Miyake; Journal of Labelled Compounds and Radiopharmaceuticals; vol. 14; nb. 2; (1978); p. 185 - 189, View in Reaxys

KCN : Kraftkonst., Kompressibilitaet, Debye-Temp.

Thakur; Journal de Chimie Physique et de Physico-Chimie Biologique; vol. 75; (1978); p. 300,301, View in Reaxys

NaCN : Kraftkonst., Kompressibilitaet, DebyeTemp.

Thakur; Journal de Chimie Physique et de Physico-Chimie Biologique; vol. 75; (1978); p. 300,301, View in Reaxys

RbCN : Kraftkonst., Kompressibilitaet, DebyeTemp.

Thakur; Journal de Chimie Physique et de Physico-Chimie Biologique; vol. 75; (1978); p. 300,301, View in Reaxys

CsLiFe(CN)6; Phase transition at 221 and 170K; Raman spectrum

Swanson et al.; Journal of Chemical Physics; vol. 69; (1978); p. 4328, View in Reaxys

Kaliumcyanid. Neutron scattering data of (KCN) (0.25) (KBr)(0.75)

Rowe et al.; Journal of Chemical Physics; vol. 68; (1978); p. 4320, View in Reaxys

Kaliumcyanid. KCN. Dynamics of translations and rotation in crystals.

Michel; Naudts; Journal of Chemical Physics; vol. 68; (1978); p. 216, View in Reaxys

Kaliumcyanid. Light scattering of pressure-induced phase transitions.

Wong; Journal of Chemical Physics; vol. 69; (1978); p. 2096, View in Reaxys

Cyanid-Ion: Rk. mit hν u. 2-Cl-Chinolin (Kinetik): Quantenausbeute, kinetische Parameter <κ(S), κ(R), γ(S), etc.>

Schuetz; Ivanov; Journal fuer Praktische Chemie (Leipzig); vol. 320; (1978); p. 667,668, View in Reaxys

Kaliumsalz, KCN: IR, Raman-Sp. der CNStreckschwingung in H2O (teilweise D2O)-Lsg. bei 22gradC; Halbweite der isotrop. u. anisotrop. Raman-Komponente bei -15gradC bis 50gradC

Lascombe; Perrot; Faraday Discussions of the Chemical Society; vol. 66; (1978); p. 216,220, View in Reaxys

Kaliumcyanid : Rechnungen an der Schmelze (Born-HugginsMayer-Potential) : Molvolumen, therm. Ausdehnungskoeff. α, Temp.koeff. des Drucks γv, isotherme Kompressibilitaet β(T),

Miller; Clarke; Journal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics; vol. 74; (1978); p. 160,164, 166, View in Reaxys

8/296

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Diff.koeff. D, Reibungskoeff. γ Na2Cu(CN)3*3H2 O: Kristallstruktur: Bindungslaengen und -winkel (s. auch Suppl.); Abspaltung von 2H2O bei 46grad, 3H2O bei 91grad; IR; Raman; Cu(CN)2- + Cu(CN)43- <-> 2 Cu(CN)32-: logK; zitiert: Kappenstein, Diss., Uni Reims, 1977

Kappenstein; Hugel; Inorganic Chemistry; vol. 17; (1978); p. 1945, View in Reaxys

Kaliumsalz: Exiton-Struktur

Boesch; Zumofen; Physical Review Letters; vol. 41; (1978); p. 590, View in Reaxys

NaCN: PES

Cousidine et al.; Inorganic Chemistry; vol. 16; (1977); p. 1392,1393, 1394, View in Reaxys

Ferricyanid

Pugachev et al.; High Energy Chemistry; vol. 11; (1977); p. 296, View in Reaxys

KCN: Abs.-Sp.

Belewanzew et al.; Izvestiya Sibirskogo Otdeleniya Akademii Nauk SSSR, Seriya Khimicheskikh Nauk; vol. 6; (1977); p. 77; Chem.Abstr.; vol. 88; nb. 142407; (1978), View in Reaxys

KCN, elast. Eigg.

Rehwald; Sandercock; Rossinelli; Physica Status Solidi (A) Applied Research; vol. 42; nb. 2; (1977); p. 699 - 705, View in Reaxys

KCN: Gitterenergie

Jenkins et al.; Journal of Inorganic and Nuclear Chemistry; vol. 39; (1977); p. 213,219, View in Reaxys

KCN : Gitterenergie

Jenkins; Pratt; Journal of Chemical Research, Miniprint; (1977); p. 733,740, View in Reaxys

CsCN: Gitterenergie

Jenkins et al.; Journal of Inorganic and Nuclear Chemistry; vol. 39; (1977); p. 213,219, View in Reaxys

CuCN: Gitterenergie

Jenkins et al.; Journal of Inorganic and Nuclear Chemistry; vol. 39; (1977); p. 213,219, View in Reaxys

NaCN: Gitterenergie

Jenkins et al.; Journal of Inorganic and Nuclear Chemistry; vol. 39; (1977); p. 213,219, View in Reaxys

RbCN: Gitterenergie

Jenkins et al.; Journal of Inorganic and Nuclear Chemistry; vol. 39; (1977); p. 213,219, View in Reaxys

CsCN : Gitterenergie

Jenkins; Pratt; Journal of Chemical Research, Miniprint; (1977); p. 733,740, View in Reaxys

NaCN : Gitterenergie

Jenkins; Pratt; Journal of Chemical Research, Miniprint; (1977); p. 733,740, View in Reaxys

RbCN : Gitterenergie

Jenkins; Pratt; Journal of Chemical Research, Miniprint; (1977); p. 733,740, View in Reaxys

K3<Co(CN)6>; 13C-NMR

Dykes et al.; Inorganic and Nuclear Chemistry Letters; vol. 13; (1977); p. 63, View in Reaxys

Anion: Addukt mit Ib: UV

Chan,R.L.; Bruice,T.C.; Journal of the American Chemical Society; vol. 99; (1977); p. 6721 - 6730, View in Reaxys

KCN: U(pot)

Jenkins; Morris; Molecular Physics; vol. 33; (1977); p. 663, View in Reaxys

LiCN: U(pot)

Jenkins; Morris; Molecular Physics; vol. 33; (1977); p. 663, View in Reaxys

NaCN: U(pot)

Jenkins; Morris; Molecular Physics; vol. 33; (1977); p. 663, View in Reaxys

K-Salz: Roentgenstrahlendiffraktogramm

Vretsena et al.; Sov. Prog. Chem. (Engl. Transl.); vol. 43; nb. 10; (1977); p. 1011,1, View in Reaxys

9/296

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K-Cyanid: Thermoelastic behaviour in crystals

Michel; Naudts; Journal of Chemical Physics; vol. 67; (1977); p. 547, View in Reaxys

Na-Cyanid: Thermoelastic behaviour in crystals

Michel; Naudts; Journal of Chemical Physics; vol. 67; (1977); p. 547, View in Reaxys

Kaliumcyanid: Kristallstruktur (Neutronenstreuung)

Rowe et al.; Journal of Chemical Physics; vol. 66; (1977); p. 5147, View in Reaxys

Natriumcyanid: Kristallstruktur (Neutronenstreuung)

Rowe et al.; Journal of Chemical Physics; vol. 66; (1977); p. 5147, View in Reaxys

Co(III)-pentacyanid <Co(CN)5Br>3- ; UV-Bestrahlg.

Balashev; Shagisultanova; High Energy Chemistry; vol. 11; (1977); p. 401, View in Reaxys

Co(III)-pentacyanid <Co(CN)5N3>3- ; UV-Bestrahlg.

Balashev; Shagisultanova; High Energy Chemistry; vol. 11; (1977); p. 401, View in Reaxys

Lithiumcyanid: Electron affinity and dipolmoment

Jordan; Journal of Chemical Physics; vol. 66; (1977); p. 3305, View in Reaxys

Kupfer(I)-Komplex KCu(CN)2: UV-Reflexionsspektrum

Kappenstein; Huegel; Inorganic Chemistry; vol. 16; (1977); p. 250, View in Reaxys

Na-Cyanid: Raman spectrum bei Druck bis zu 6 Kbar

Dultz et al.; Journal of Chemical Physics; vol. 67; (1977); p. 2560, View in Reaxys

Co(III)-pentacyanid <Co(CN)5(CN)>3; UV-Bestrahlg.

Balashev; Shagisultanova; High Energy Chemistry; vol. 11; (1977); p. 401, View in Reaxys

Li-Salz: Struktur in versch. Schwingungszustaenden

Lunichev; Rambidii; Journal of Structural Chemistry; vol. 18; (1977); p. 300; ; p. 377, View in Reaxys

Pentacyanocobaltat <Co(CN)5(H2O)> 2- ( UV-Bestrahlg.)

Balashev; Shagisultanova; High Energy Chemistry; vol. 11; (1977); p. 401, View in Reaxys

K-Cyanid: Brillouin scattering spectrum (single crystal)

Wang; Satija; Journal of Chemical Physics; vol. 67; (1977); p. 851, View in Reaxys

Na-Cyanid: Brillouin scattering spectrum (single crystal)

Wang; Satija; Journal of Chemical Physics; vol. 67; (1977); p. 851, View in Reaxys

K+-Salz: MS, F=908 K, Sublimationsdruck, P, D (K-CN)

Simmons et al.; Journal of Physical Chemistry; vol. 81; (1977); p. 709,710,711, View in Reaxys

Natriumcyanid: Brillouin scatter-

Satija; Wang; Journal of Chemical Physics; vol. 66; (1977); p. 2221, View in Reaxys

10/296

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ing of a single crystal Co(III)-pentacyanid <Co(CN)5Cl>3- ; UV-Bestrahlg. ; ESR-Sp. Cyanid-Ion: Rk. mit /BRN= 398632/: Geschw.konst. S. 3757/8

Balashev; Shagisultanova; High Energy Chemistry; vol. 11; (1977); p. 401, View in Reaxys

2,4-Dinitrofluorobenzene

Ritchie,C.D.; Sawada,M.; Journal of the American Chemical Society; vol. 99; nb. 11; (1977); p. 3754 - 3761, View in Reaxys

Kaliumsalz:Rk. m. Verb. I, CF3CH2OH/III oder IV fotochemisch

Arnold; Maroulis; Journal of the American Chemical Society; vol. 99; (1977); p. 7355, View in Reaxys

Na<Re2(CO)3CN >: aus Re2(CO)10, NaN<Si(CH3)3>2 ; IR; Raman-Sp.

Behrens et al.; Zeitschrift fuer Naturforschung, Teil B: Anorganische Chemie, Organische Chemie; vol. 32; (1977); p. 1217,1218 - 1220, View in Reaxys

Na<Mn2(CO)3CN >: aus Mn2(CO)10, NaN<Si(CH3)3>2 ; hellgelb; IR; Raman-Sp.

Behrens et al.; Zeitschrift fuer Naturforschung, Teil B: Anorganische Chemie, Organische Chemie; vol. 32; (1977); p. 1217,1218 - 1220, View in Reaxys

Cyanid-Ion: Rk. mit p-Dimethylaminophenyltropylium-Ion; Geschw.konst. S. 3749

Ritchie; Sawada; Journal of the American Chemical Society; vol. 99; (1977); p. 3754, View in Reaxys

NaCN*2H2O: Kristallstruktur, Roentgenstrukturanalyse, Strukturfaktoren s. SUP 32062

Bats; Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry; vol. 33; (1977); p. 466,468, View in Reaxys

NaCN*2H2O: Die Roentgenstrukturanalyse von Le Bihan, Acta cryst. 11 <1958> 770 ist falsch

Bats; Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry; vol. 33; (1977); p. 466,468, View in Reaxys

Komplexe: K4<MO(CN)4>, K4<MoO(CN)4>, K4<MoO2(CN)4>: thermische Zersetzung, Derivatogramm

Vretsena et al.; Sov. Prog. Chem. (Engl. Transl.); vol. 43; nb. 10; (1977); p. 1011,1, View in Reaxys

Kupfer(I)-Komplex NaCu(CN)2*2H2O: aus Kupfercyanid, Natriumcyanid; D=1.97, IR, UVReflexionsspektrum, Roentgenstruktur: Bindung-

Kappenstein; Huegel; Inorganic Chemistry; vol. 16; (1977); p. 250, View in Reaxys

11/296

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slaengen u. -winkel; Raman-Sp. K(CN)(1-x)Clx, elast. Eigg.

Rehwald; Sandercock; Rossinelli; Physica Status Solidi (A) Applied Research; vol. 42; nb. 2; (1977); p. 699 - 705, View in Reaxys

Alkalicyanide, Raman, Fig. 1

Gans; Gill; Faraday Discussions of the Chemical Society; vol. 64; (1977); p. 150, View in Reaxys

ICN/N2: Raman, IR

Grzybowski et al.; Journal of Raman Spectroscopy; vol. 4; (1976); p. 421,424, View in Reaxys

NaCN: Reflexions-Sp.

Downing; Williams; Journal of Physical Chemistry; vol. 80; (1976); p. 1950, View in Reaxys

LiCN: Elektron affinity

Jordan; Journal of Chemical Physics; vol. 65; (1976); p. 1214, View in Reaxys

LiCN: Electron affinity

Jordan; Journal of Chemical Physics; vol. 65; (1976); p. 1214, View in Reaxys

K-Salz: F-Zentrumemission

Ohkura, Hiroshi; Scavarda Do Como; Kalinowski; Costa Ribeiro; Journal of the Physical Society of Japan; vol. 41; nb. 5; (1976); p. 1805 - 1806, View in Reaxys

K+ - Salz : Mikrowellenspektrum

Kuijpers et al.; Chemical Physics Letters; vol. 42; (1976); p. 423, View in Reaxys

CN: Anregung in aktiven N2-Flammen

Gorbal; Savadatti; Indian Journal of Pure and Applied Physics; vol. 14; (1976); p. 327, View in Reaxys

Komplex mit HF : Mikrowellenspektrum

Legon et al.; Chemical Physics Letters; vol. 41; (1976); p. 137, View in Reaxys

KCN; Brillriun Strenung dart. Konst.

Krasser et al.; Solid State Communications; vol. 18; (1976); p. 287, View in Reaxys

Fe(CN)64-/ Fe(CN)63- : Redoxverhalten

Olmedo et al.; Journal of Electroanalytical Chemistry and Interfacial Electrochemistry; vol. 74; (1976); p. 19, View in Reaxys

CN-: Anionenaustausch mit SCN-; K, ΔH, ΔS, ΔCp

Okamoto; Marcus; Journal of Physical Chemistry; vol. 80; (1976); p. 2456, View in Reaxys

Clathrat m. Hydrochinon, diel. Analyse, s. exp., Ref. 2

Dansas; Sixon; Molecular Physics; vol. 31; (1976); p. 1319, View in Reaxys

K3Fe(CN)6: Rk. mit D-Glucose, DGluconsaeure: Kinetik: k

El Wakil; Wagnerowa; Collection of Czechoslovak Chemical Communications; vol. 41; (1976); p. 14,15,16, View in Reaxys

Kalium-Salz: UVVIS-Abs.-Sp. (Fig. 1) (mit p-Nitrophenyldiazocyanid)

Bykova et al.; J. Anal. Chem. USSR (Engl. Transl.); vol. 31; (1976); p. 2064,1508,1509, 1510, View in Reaxys

NaCN: Rk. m. DErythrose in Gegenwart von M+ +Cl2: Produktverteilung

Stepinski; Swiderski; Roczniki Chemii; vol. 50; (1976); p. 1991,1992, View in Reaxys

Cyanid: Kinetik (k) d. Oxid. m. <Fe(III)(CN)6>3(in alkal. Lsg.) -> Cyanat

Duke; Inorganic and Nuclear Chemistry Letters; vol. 12; (1976); p. 107, View in Reaxys

KCN: Rk. mit <Re(CO)5X>

Blandamer et al.; Journal of the Chemical Society, Dalton Transactions: Inorganic Chemistry (1972-1999); (1976); p. 1158, View in Reaxys

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(X=Cl, Br, I): k (Tab.1), ΔH(excit), ΔS(excit) (Tab.2) K3<Fe(CN)6>: Kinetik der Reaktion mit Acetophenon u. subst. Acetophenonen (Tab.2)

Pillay; Kanagavel; Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry; vol. 14; (1976); p. 368, View in Reaxys

K3Fe(CN)6. Rk. mit <S2O3>2-; <SHCH2COO>-; N2H4; NH2OH; <SO3>2-; <CN>-; C6H12O6; <AsO3>3-; HCHO: Kinetik: k

Madlo et al.; Collection of Czechoslovak Chemical Communications; vol. 41; (1976); p. 7,9, View in Reaxys

Natriumcyanid NaCN: Kinetik der Austausch-Rk. mit 1-Brom-octan an versch. Polystyrol-Ionenaustauscher-Harzen

Regen; Journal of the American Chemical Society; vol. 98; (1976); p. 6270,6272, 6273, View in Reaxys

K-Salz: Rk. m. Methyliodid u. a. Halogeniden in W. in Ggw. v. <4>, <5> bzw. <6> bei 25grad bzw. 50grad; Ausb. d. Cyanide

Ohtomi et al.; Nippon Kagaku Kaishi; (1976); p. 1878,1879, View in Reaxys

Cyanid: Komplexbildung mit Deaza-FMN-glycolatoxidase, DeazaFAD-aminosaeureoxidase, DeazaFAD-glucoseoxidase, 5-DeazaFMN: k, K(Diss)

Jorns; Hersh; Journal of Biological Chemistry; vol. 251; (1976); p. 4872,4879, View in Reaxys

KCN: Raman spectrum, 220-140 nm

Dultz; Journal of Chemical Physics; vol. 65; (1976); p. 2812, View in Reaxys

K+-Salz: ΔDgrad(0)

Mulvihill; Phillips; Chemical Physics Letters; vol. 33; (1975); p. 608,609-611, View in Reaxys

Cs+-Salz: ΔDgrad(0)

Mulvihill; Phillips; Chemical Physics Letters; vol. 33; (1975); p. 608,609-611, View in Reaxys

Li+-Salz: ΔDgrad(0)

Mulvihill; Phillips; Chemical Physics Letters; vol. 33; (1975); p. 608,609-611, View in Reaxys

Na+-Salz: ΔDgrad(0)

Mulvihill; Phillips; Chemical Physics Letters; vol. 33; (1975); p. 608,609-611, View in Reaxys

Rb+-Salz: ΔDgrad(0)

Mulvihill; Phillips; Chemical Physics Letters; vol. 33; (1975); p. 608,609-611, View in Reaxys

K2<ReN(CN)4>* H2O: IR-Bd.

Lyubchenko et al.; J. Appl. Chem. USSR (Engl. Transl.); vol. 48; (1975); p. 958,1008, View in Reaxys

FeReN(CN)4*H2O: blau; IR-Bd.

Lyubchenko et al.; J. Appl. Chem. USSR (Engl. Transl.); vol. 48; (1975); p. 958,1008, View in Reaxys

Komplex mit Fe: K3Fe(CN)6

Nogami,T. et al.; Bulletin of the Chemical Society of Japan; vol. 48; (1975); p. 3709 3714, View in Reaxys

13/296

2018-01-18 00:45:07

K-Salz: IR (in Inertgas Matrix)

Ismail et al.; Journal of Molecular Spectroscopy; vol. 54; (1975); p. 402,405, 406, View in Reaxys

Na-Salz: IR (in Inertgas Matrix)

Ismail et al.; Journal of Molecular Spectroscopy; vol. 54; (1975); p. 402,405, 406, View in Reaxys

Natriumcyanid, Kristallgitter-Parameter

Rowe et al.; Journal of Chemical Physics; vol. 62; (1975); p. 4551, View in Reaxys

HgCN: Geschw.keitskonst. d. Rekombination; UV.

Fujita et al.; Bulletin of the Chemical Society of Japan; vol. 48; (1975); p. 3067,3068-3070, View in Reaxys

K1.96Mn1.03Fe( CN)6: Ionenaustauch u. molekulare Sorption

Vol'khin et al.; J. Appl. Chem. USSR (Engl. Transl.); vol. 48; (1975); p. 54,52,55, View in Reaxys

Kaliumcyanid, IRReflektionssp.; Kristallgitter-Parameter

Rowe et al.; Journal of Chemical Physics; vol. 62; (1975); p. 4551, View in Reaxys

Cyanid: Entfernung aus wss. Lsg. durch Elektrodialyse

Lyubman et al.; J. Appl. Chem. USSR (Engl. Transl.); vol. 48; (1975); p. 2169,2241, View in Reaxys

(HgCN)2: Geschw.keitskonst. d. Zerfalls; Halbwertszeit.

Fujita et al.; Bulletin of the Chemical Society of Japan; vol. 48; (1975); p. 3067,3068-3070, View in Reaxys

K1.34Ni1.33Fe(C N)6: Ionenaustauch u. molekulare Sorption

Vol'khin et al.; J. Appl. Chem. USSR (Engl. Transl.); vol. 48; (1975); p. 54,52,55, View in Reaxys

NaCN: C.: Rk. mit 1,3,5-Tris(trifluormethylsulfonyl)benzol: Prod.

Yagupolskii et al.; Tetrahedron Letters; (1975); p. 4413, View in Reaxys

KCN: mittl. Schwingungsamplitude; Polarisierbarkeit; abs. Ramanintensitaet

Ahmad; Sanyal; Indian Journal of Pure and Applied Physics; vol. 13; (1975); p. 671, View in Reaxys

NaCN: mittl. Schwingungsamplitude; Polarisierbarkeit; abs. Ramanintensitaet

Ahmad; Sanyal; Indian Journal of Pure and Applied Physics; vol. 13; (1975); p. 671, View in Reaxys

Hg(CN)2: Pulsradiolyse in waessrigen Lsg.; Geschw.keitskonst. d. Reduktion; UV.

Fujita et al.; Bulletin of the Chemical Society of Japan; vol. 48; (1975); p. 3067,3068-3070, View in Reaxys

<Fe(CN)6>4-: Kristallgitter u. Eigensch. zum Ionenaustauch u. zur molekularen Sorption

Vol'khin et al.; J. Appl. Chem. USSR (Engl. Transl.); vol. 48; (1975); p. 54,52,55, View in Reaxys

Komplexe mit Fe u. Lanthaniden oder Yttrium zB.:

Bonnet; Paris; Bulletin de la Societe Chimique de France; (1975); p. 1062,1065, View in Reaxys

14/296

2018-01-18 00:45:07

LnFe(CN)6,4H2O IR, Roentgenstrahlen Komplexe mit Co u. Lanthaniden oder Yttrium zB.: LnCo(CN)6,4H2O IR, Roentgenstrahlen

Bonnet; Paris; Bulletin de la Societe Chimique de France; (1975); p. 1062,1065, View in Reaxys

FerrocyanidAnion : <Fe(CN)6>(4-)Sal z: Geschw. konst d. Reaktion m. Rhus vernicifera Laecase

Holwerda; Gray; Journal of the American Chemical Society; vol. 97; nb. 21; (1975); p. 6036 - 6041, View in Reaxys

Na-Salz : Elektrolyserk. mit 1,4-Dimethoxybenzol/ CH3OH : Produktverteilung, k relativ, Potentialu. Konzentrationsabhaengigkeit

Weinberg,N.L. et al.; Journal of the American Chemical Society; vol. 97; (1975); p. 1499 - 1504, View in Reaxys

K-Salz, Rk. mit αBenzyl-α-brom-4X-deoxybenzoins (X: CH3O, CH3, H, Cl), in Methanol, Geschw. Konst., ΔH(excit.), ΔS(excit.), Table 2

Karavan; Kolesnikova; Zhurnal Organicheskoi Khimii; vol. 11; (1975); p. 766,759, View in Reaxys

NaCN: Valenzband-X-Ray-PES

Prins; Biloen; Chemical Physics Letters; vol. 30; (1975); p. 340, View in Reaxys

KCN

Bramley et al.; Journal of the Chemical Society [Section] A: Inorganic, Physical, Theoretical; (1967); p. 861, View in Reaxys; Trofimenko; Journal of the American Chemical Society; vol. 88; (1966); p. 1899,1904, View in Reaxys; Dultz; Solid State Communications; vol. 15; (1974); p. 595, View in Reaxys; Pistorius; Journal of Physics and Chemistry of Solids; vol. 32; (1971); p. 2761, View in Reaxys

Cyanocobalamin: VIS/Abs.-Sp., Resonanz-Raman-Sp.

Galluzzi et al.; Journal of Raman Spectroscopy; vol. 2; (1974); p. 351,353, 356, View in Reaxys

Cyanidion: ozillopolarogarph. Best. in Galvanikabwaessern (als CuI-Komplex)

Riolo et al.; Annali di Chimica (Rome, Italy); vol. 64; (1974); p. 425, View in Reaxys

Komplex mit Cytochrom C Peroxidase: Kinetik, Geschw.-Konst., Gleichgewichts.Konst.

Erman; Biochemistry; vol. 13; (1974); p. 39,41, View in Reaxys

Dicyanoquecksilber Hg(CN)2 C2HgN2: Kinetik d. Rk. mit Diphenylquecksilber: Geschw.Konst. (Tab. 1)

Beletskaya et al.; Zhurnal Organicheskoi Khimii; vol. 10; (1974); p. 2009,2027,2029, View in Reaxys

15/296

2018-01-18 00:45:07

KCN: 14C-NMRParameter

O'Reilly; Journal of Chemical Physics; vol. 58; (1973); p. 3023, View in Reaxys

NaCN: 23Na14/nNMR-Parameter

O'Reilly; Journal of Chemical Physics; vol. 58; (1973); p. 3023, View in Reaxys

KCN: IR-Sp. (fest, 77 u. 298 K)

Ismail; Hauge; Margrave; Applied Spectroscopy; vol. 27; nb. 2; (1973); p. 93 - 94, View in Reaxys

NaCN: Kohlenstoff-K-Emissionssp.

Koster; Chemical Physics Letters; vol. 23; (1973); p. 18, View in Reaxys

LiCN: IR-Sp. (fest, 77 u. 298 K)

Ismail; Hauge; Margrave; Applied Spectroscopy; vol. 27; nb. 2; (1973); p. 93 - 94, View in Reaxys

NaCN: IR-Sp. (fest, 77 u. 298 K)

Ismail; Hauge; Margrave; Applied Spectroscopy; vol. 27; nb. 2; (1973); p. 93 - 94, View in Reaxys

KCN, elast. u. thermoelast. Konst.

Haussuehl; Solid State Communications; vol. 13; nb. 2; (1973); p. 147 - 151, View in Reaxys

Cd(CN)2: 111mCd-KernQuadrupol-Parameter

Haas; Shirley; Journal of Chemical Physics; vol. 58; (1973); p. 3339,3350, View in Reaxys

KAg(CN)2: 111Ag-KernQuadrupol-Parameter

Haas; Shirley; Journal of Chemical Physics; vol. 58; (1973); p. 3339,3350, View in Reaxys

KCdFe(CN)6: 111mCd-KernQuadrupol-Parameter

Haas; Shirley; Journal of Chemical Physics; vol. 58; (1973); p. 3339,3350, View in Reaxys

Cd3<Co(CN)6>2: 111mCd-KernQuadrupol-Parameter

Haas; Shirley; Journal of Chemical Physics; vol. 58; (1973); p. 3339,3350, View in Reaxys

Na-Salz: Rk. mit N,N'-Diisopropyldiaminomaleinsaeuredinitril

Ferris; Ryan; Journal of Organic Chemistry; vol. 38; (1973); p. 3302,3306, View in Reaxys

Komplex mit Methaemoglobin: magnet.-opt.-Rotations-Sp.; UVAbs.-Sp.

Rein et al.; Chemical Physics Letters; vol. 20; (1973); p. 71, View in Reaxys

<NH4>4Fe<CN>6 : Zers. i. Ggw. von Cu(NO3)2 (spez. Magnetisierung, Beugungsbild usw.

Wolski; Skzypczak; Zeitschrift fuer Chemie (Stuttgart, Germany); vol. 13; (1973); p. 95,96, 97, View in Reaxys

Hexacyanoferrat(III) (KaliumSalz): λmax, ε (Tab.1); Oxid. von Dihydroxyacetonphosphat u. Fructose-1,6-diphosphat (Kinetik): Tab.II,III

Healy; Christen; Biochemical Journal; vol. 12; (1973); p. 35,36, 37, View in Reaxys

K-Salz: Rk. mit NH3/W.; mit Diiminobernsteinsaeuredinitril; mit

Ferris; Ryan; Journal of Organic Chemistry; vol. 38; (1973); p. 3302,3306, View in Reaxys

16/296

2018-01-18 00:45:07

Diaminomaleinsaeuredinitril; mit N,N'-Diisopropyldiiminobernsteinsaeuredinitril System HF-HCN: MO(ab initio)

Del Bene; Marchese; Journal of Chemical Physics; vol. 58; (1973); p. 926, View in Reaxys

Na2Fe(CN)514NO *2H2O: Ir-Sp.

Tosi; Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy; vol. 29; (1973); p. 353, View in Reaxys

Na2Fe(CN)515NO *2H2O: Ir-Sp.

Tosi; Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy; vol. 29; (1973); p. 353, View in Reaxys

KCN: KohlenstoffK-Emissionssp.

Koster; Chemical Physics Letters; vol. 23; (1973); p. 18, View in Reaxys

K*Salz: Rk. m. O3: k

Balyanskii et al.; J. Appl. Chem. USSR (Engl. Transl.); vol. 45; (1972); p. 2152,2261, View in Reaxys

KCN: spezif. Leitfaehigk. (HSO3F)

Paul et al.; Journal of Inorganic and Nuclear Chemistry; vol. 34; (1972); p. 2523,2525, View in Reaxys

6LiCN: IR, Thermodynamische Parameter

Ismail et al.; Journal of Chemical Physics; vol. 57; (1972); p. 5137,5139, View in Reaxys

6LiNC: IR, Thermodynamische Parameter

Ismail et al.; Journal of Chemical Physics; vol. 57; (1972); p. 5137,5139, View in Reaxys

Sn(Cl)2 C2N2Sn: 119mSn-Moessbauer-Sp.

Harrison; Journal of the Chemical Society, Chemical Communications; (1972); p. 544, View in Reaxys

Komplex Co(CN)63-: Bestrahlung in wss. Lsg.; UV

Scandola; Scandola; Journal of the American Chemical Society; vol. 94; (1972); p. 1805, View in Reaxys

Kaliumcyanid: neutron diffraction of single crystals

Price et al.; Journal of Chemical Physics; vol. 56; (1972); p. 3697, View in Reaxys

Komplex LiBH3CN: Rk. m. (umgelagertem) Sulfoxid 8: Produktverhaeltnis

Evans; Andrews; Journal of the American Chemical Society; vol. 94; (1972); p. 3672, View in Reaxys

LiCN: IR-Sp. in Matrices (4000 33 cm-1); Kraftkonst.; thermodynamische Parameter

Ismail et al.; Journal of Chemical Physics; vol. 57; (1972); p. 5137,5139, View in Reaxys

LiNC: IR-Sp. in Matrices (4000 33 cm-1); Kraftkonst.; thermodynamische Parameter

Ismail et al.; Journal of Chemical Physics; vol. 57; (1972); p. 5137,5139, View in Reaxys

KCN : Rk. mit Ester C17H18O4S (Y = H), Kinetik: Geschw. Konst. ΔH(excit), ΔS(excit)

Karavan et al.; Zhurnal Organicheskoi Khimii; vol. 8; (1972); p. 2140,2185,2186, View in Reaxys

Nitroprussid-Na: Na2<Fe(CN)5NO > * H2O; Bind-

Adams et al.; Journal of the Chemical Society, Chemical Communications; (1972); p. 751, View in Reaxys

17/296

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ungsenergien; Moessbauer Isomerenverschiebung KCN : Rk. mit Ester C18H20O4S (Y = p-CH3), Kinetik: Geschw. Konst. ΔH(excit), ΔS(excit)

Karavan et al.; Zhurnal Organicheskoi Khimii; vol. 8; (1972); p. 2140,2185,2186, View in Reaxys

KCN : Rk. mit Ester C17H17BrO4S (Y = p-Br), Kinetik: Geschw. Konst. ΔH(excit), ΔS(excit)

Karavan et al.; Zhurnal Organicheskoi Khimii; vol. 8; (1972); p. 2140,2185,2186, View in Reaxys

KCN : Rk. mit Ester C17H17NO6S (Y = m-NO2), Kinetik: Geschw. Konst. ΔH(excit), ΔS(excit)

Karavan et al.; Zhurnal Organicheskoi Khimii; vol. 8; (1972); p. 2140,2185,2186, View in Reaxys

KCN: Oxidation mit Ozon bei verschiedenen Temperaturen und Gasgeschwindigkeiten, Geschwindigkeitskonstanten

Balyanskii et al.; J. Appl. Chem. USSR (Engl. Transl.); vol. 45; (1972); p. 2152,2261, View in Reaxys

Kaliumcyanid KCN: Kinetik u. Mechanismus d. Zers. in wss., alkalischen Medium; Zerfallskonstanten 1. Ordnung

Wiegand; Tremelling; Journal of Organic Chemistry; vol. 37; (1972); p. 914, View in Reaxys

Hg(CN)2: Rk. mit Thioharnstoff, ΔH, K

Christensen et al.; Thermochimica Acta; vol. 3; (1971); p. 203,211, View in Reaxys

Caesiumcyanid CsCN: Druckabh. d. CsCN I/II Uebergangs

Richter; Pistorius; Journal of Chemical Physics; vol. 54; (1971); p. 5436, View in Reaxys

Bindungsabstand, Bindungsenergie, der H-Bruecken mit HF

van Duijneveldt-van de Rijdt; van Duijne; Journal of the American Chemical Society; vol. 93; (1971); p. 5644,5650, View in Reaxys

Bindungsabstand, Bindungsenergie, der H-Bruecken mit CH4

van Duijneveldt-van de Rijdt; van Duijne; Journal of the American Chemical Society; vol. 93; (1971); p. 5644,5650, View in Reaxys

Bindungsabstand, Bindungsenergie, der H-Bruecken mit NH3

van Duijneveldt-van de Rijdt; van Duijne; Journal of the American Chemical Society; vol. 93; (1971); p. 5644,5650, View in Reaxys

Bindungsabstand, Bindungsenergie, der H-Bruecken mit H2O

van Duijneveldt-van de Rijdt; van Duijne; Journal of the American Chemical Society; vol. 93; (1971); p. 5644,5650, View in Reaxys

18/296

2018-01-18 00:45:07

Na-Cyanid: Rk. mit Formaldehyd + NH4HCl3: Produktverteilung

Shirai; Takei; Yuki Gosei Kagaku Kyokaishi; vol. 29; (1971); p. 1135,1138, View in Reaxys

Hexacyanoferrat: Bildg., Gleichgewichte u. Dissoziation versch. Vbn.

Duplessis-Legros; Emschwiller; Comptes Rendus des Seances de l'Academie des Sciences, Serie C: Sciences Chimiques; vol. 273; (1971); p. 452, View in Reaxys

K-Salz KCN: Rk. mit Hoglutestine Mucosa Peroxidase u.a. Peroxidasen: V/S

Stelmaszynska; Zgliczynski; European journal of biochemistry / FEBS; vol. 19; nb. 1; (1971); p. 56 - 63, View in Reaxys

K3Fe(CN)6: Rk.mit NADH/ NADH-dehydrogenase: K(m); Inhibier.; pH-Abhaengigk.

Yates; European Journal of Biochemistry; vol. 24; (1971); p. 437,350,351, View in Reaxys

Kaliumcyanat KNCO: ESR-Sp. des nach γ-Radiolyse v. Einkrist. erhaltenen CNRadikals

Owens et al.; Journal of Chemical Physics; vol. 54; (1971); p. 833, View in Reaxys

Kaliumferrocyanid K4Fe(CN)6: Pulsradiolyse in N2Ogesaelt. wss Lsg. bei 23grad: Geschw. Konst. der Rk. von <Fe(CN)6>4- mit O-(aq)

Zehavi; Rabani; Journal of Physical Chemistry; vol. 75; (1971); p. 1738, View in Reaxys

KLomplex K3<Fe(CN)6>: Rk. m. Hydroxamsaeure I (R=PhCH2): Produktverteilung (S. 679, 680); Rk. m. Hydroxamsaeure VI: Produktverteilung (S. 680)

Oliver; Waters; Journal of the Chemical Society [Section] B: Physical Organic; (1971); p. 677,680, View in Reaxys

CN-; UV-Sp., Fluo. -Max.

Belyi et al.; Bulletin of the Academy of Sciences of the USSR, Physical Series (English Translation); vol. 35; (1971); p. 1285; ; p. 1406, View in Reaxys

Kaliumcyanid: Kristallstruktur

Atoji; Journal of Chemical Physics; vol. 54; (1971); p. 3514, View in Reaxys

BH3CN-:IR

Wade et al.; Inorganic Chemistry; vol. 9; (1970); p. 2146,2147,2149, View in Reaxys

BH3NC-:IR

Wade et al.; Inorganic Chemistry; vol. 9; (1970); p. 2146,2147,2149, View in Reaxys

K2BaFe(CN)6

Basu; Das; Inorganic Chemistry; vol. 9; (1970); p. 2781, View in Reaxys

BH3CNBH3-:IR

Wade et al.; Inorganic Chemistry; vol. 9; (1970); p. 2146,2147,2149, View in Reaxys

Co(NH3)6Fe(CN )6

Basu; Das; Inorganic Chemistry; vol. 9; (1970); p. 2781, View in Reaxys

Assoz. m. HCl (305)

Thomas; Thompson; Proceedings of the Royal Society of London, Series A: Mathematical, Physical and Engineering Sciences; vol. 316; (1970); p. 303,306,307,309, View in Reaxys

19/296

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NaBH3CN: Loesl., IR

Wade et al.; Inorganic Chemistry; vol. 9; (1970); p. 2146,2147,2149, View in Reaxys

Salz: Fe(CN)63+and

Bartlett et al.; Journal of the South African Chemical Institute; vol. 23; (1970); p. 57, View in Reaxys

K-Salz: Leitfaehigkeit

McColm; Journal of Inorganic and Nuclear Chemistry; vol. 32; (1970); p. 1461,1462, View in Reaxys

Na-Salz: Kraftkonstante

Mou; Chen; Journal of the Chinese Chemical Society (Taipei, Taiwan); vol. 17; (1970); p. II-193,197, View in Reaxys

KCN: Neutronenbestrahlung

Kahry; Radiochimica Acta; vol. 14; (1970); p. 127, View in Reaxys

BH4CN : K-Salz : IR-Sp.; RamanSp.

Berschied; Purcell; Inorganic Chemistry; vol. 9; (1970); p. 628, View in Reaxys

KCN: Rk. m. Oxid I: Produktanalyse

Perveev,F.Ya.; Afonina,I.I.; J. Gen. Chem. USSR (Engl. Transl.); vol. 40; (1970); p. 1096 - 1099,1084 - 1087, View in Reaxys

BH4CN : Li-Salz : IR-Sp.; RamanSp.

Berschied; Purcell; Inorganic Chemistry; vol. 9; (1970); p. 628, View in Reaxys

BH4CN : NaSalz : IR-Sp.; Raman-Sp.

Berschied; Purcell; Inorganic Chemistry; vol. 9; (1970); p. 628, View in Reaxys

Na5<Co(SO3)2(C N)4>*3H2O :Polarographie

Maki; Yamamoto; Bulletin of the Chemical Society of Japan; vol. 43; (1970); p. 2450, View in Reaxys

Na2<Fe(CN)5NO >*2D2O: IR-Sp. u. Raman-Sp. (Einkristall)

Tosi; Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy; vol. 26; (1970); p. 1675,1679-1693, View in Reaxys

Komplexbildung des CN- mit Vitamin ΨB(12): K (Tab. 1)

Hill et al.; Biochemical Journal; vol. 120; (1970); p. 263,266, View in Reaxys

Cyanid-acacKomplex: aus VO(acac)2, CN-; ΔG0(VO) = -4.20

Mayer; Gutmann; Monatshefte fuer Chemie; vol. 101; (1970); p. 912,915, View in Reaxys

Ammoniumcyanid NH4CN : Madelung-Energie-Parameter, Kristallenergie

Ladd; Transactions of the Faraday Society; vol. 66; (1970); p. 1592, View in Reaxys

Cyanidion: Komplex m. Hem: ORD (450-650 mμ; Boratpuffer) (Fig.5, S.145)

Atanasov et al.; Izvestiya na Otdelenieto za Khimicheski Nauki (Bulgarska Akademiya na Naukite); vol. 3; (1970); p. 139,142,144-146,149,150, View in Reaxys

<(C2H5)3NH>CN : Rk. m. Oxid I: Produktanalyse; Rk. m. Oxid II: Produktanalyse

Perveev,F.Ya.; Afonina,I.I.; J. Gen. Chem. USSR (Engl. Transl.); vol. 40; (1970); p. 1096 - 1099,1084 - 1087, View in Reaxys

Na-Salz: Extraktion von goldhaltigen Mineralien durch Cyankomplexbildung <AuCN2>-, Geschw. der Komplexbildung

Ripan et al.; Revue Roumaine de Chimie; vol. 15; (1970); p. 719,720, View in Reaxys

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Cyanid-Ion: Rk. mit S3O62-: Kinetik S.2319, UV: S. 2319, Nukleophilie gegen S3O62-, ΔH(excit.), ΔS(excit.), Basizitaet, E(n) S.2320

Ritter; Krueger; Journal of the American Chemical Society; vol. 92; (1970); p. 2316, View in Reaxys

Ru(CN)6: Leitfaehigkeit Λ

Fidler; Kralik; Collection of Czechoslovak Chemical Communications; vol. 35; (1970); p. 1913,1914, View in Reaxys

NaCN: Neutronenbestrahlung

Kahry; Radiochimica Acta; vol. 14; (1970); p. 127, View in Reaxys

Tl-Salz v. Fe(CN)63-: Loesl.

Basu; Das; Inorganic Chemistry; vol. 9; (1970); p. 2781, View in Reaxys

(HCN)2: IR-Sp.

Jones et al.; Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy; vol. 25; (1969); p. 385,387,389, View in Reaxys

Kaliumsalz

Kordes; Dany; Zeitschrift fuer Anorganische und Allgemeine Chemie; vol. 334; (1964); p. 81,87, View in Reaxys; Brophy; Gallagher; Australian Journal of Chemistry; vol. 22; (1969); p. 1385,1387, View in Reaxys

Kaliumcyanid KCN: C Neutronenbeschuss

Kuhry; Bulletin de la Societe Chimique de France; (1969); p. 2641, View in Reaxys

Natriumcyanid NaCN: C Neutronenbeschuss

Kuhry; Bulletin de la Societe Chimique de France; (1969); p. 2641, View in Reaxys

Kalium-Salz: Rk. mit Eisen(II)-sulfat

Guetlich; Hasselbach; Angewandte Chemie; vol. 81; (1969); p. 627, View in Reaxys

Ad. mit Dimethylether: IR-Sp. S. 1300

Seel; Sheppard; Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy; vol. 25; (1969); p. 1295,1300, View in Reaxys

Cadmium(II)-cyanid-iodid CdCNI: P Kinetik

Johansson; Oestman; Acta Chemica Scandinavica (1947-1973); vol. 23; (1969); p. 2939,2947, View in Reaxys

Cadmium(II)-cyanid-chlorid CdCNCl: P Kinetik

Johansson; Oestman; Acta Chemica Scandinavica (1947-1973); vol. 23; (1969); p. 2939,2947, View in Reaxys

Cadmium(II)-cyanid-bromid Cd(CN)Br: P Kinetik

Johansson; Oestman; Acta Chemica Scandinavica (1947-1973); vol. 23; (1969); p. 2939,2947, View in Reaxys

KAu(CN)2: Gleichgewicht mit HS- und OH(Konstante)

Kuz'minykh et al.; J. Appl. Chem. USSR (Engl. Transl.); vol. 42; (1969); p. 2006,1886, View in Reaxys

Nickelcyanid-Ammoniak-Clathrat Ni(CN)2 C2N2Ni*NH3: IR

Bhatnagar; Zeitschrift fuer Anorganische und Allgemeine Chemie; vol. 370; (1969); p. 110, View in Reaxys

Na-CN : Cp0(ber.), Gleichgewicht mit NaCNS und Na2CO3

Melikyan; Andreev; J. Appl. Chem. USSR (Engl. Transl.); vol. 42; (1969); p. 809,770, View in Reaxys

KCN: Rk. m. 1) etw. NaOH in Me. 2) Cumolhydroperoxyd-Lsg.>KCNO

Nachbaur; Monatshefte fuer Chemie; vol. 100; (1969); p. 1998,2003, View in Reaxys

21/296

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NaCN: Rk. m. 1) etw. NaOH in Me. 2) Cumolhydroperoxyd-Lsg.>NaCNO

Nachbaur; Monatshefte fuer Chemie; vol. 100; (1969); p. 1998,2003, View in Reaxys

Kaliumcyanid KCN: Rk. mit aromat. heterocycl. Nitroverb., 2. Mitt.

Okamoto,T. et al.; Chemical and Pharmaceutical Bulletin; vol. 17; nb. 1; (1969); p. 140 144, View in Reaxys

Ammoniumcyanid NH4CN: IR-Sp. (3300 - 200 cm-1; kristallin) bei 4 125 K

Clutter; Thompson; Journal of Chemical Physics; vol. 51; (1969); p. 153,155, View in Reaxys

KCN: Rk. m. 1) etw. NaOH in Acetonitril 2) Me. 3) 35percentig H2O2 4) A.>KCNO

Nachbaur; Monatshefte fuer Chemie; vol. 100; (1969); p. 1998,2003, View in Reaxys

NaCN: Rk. m. 1) etw. NaOH in Acetonitril 2) Me. m. Hydrazobenzol u. O2 ->NaCNO

Nachbaur; Monatshefte fuer Chemie; vol. 100; (1969); p. 1998,2003, View in Reaxys

NaCN: Rk. m. 1) etw. NaOH in Acetonitril 2) Me. 3) 35percentig H2O2 4) A.>NaCNO

Nachbaur; Monatshefte fuer Chemie; vol. 100; (1969); p. 1998,2003, View in Reaxys

NaCN: Rk. m. 1) etw. NaOH in Me. m. Benzophenon,Isopropylalkohol,O2,UV-Bestrahlung->NaCNO

Nachbaur; Monatshefte fuer Chemie; vol. 100; (1969); p. 1998,2003, View in Reaxys

CuCN: Elektrische Leitfaehigkeit v. polykrist. CuCN bei 320 K 500 K u. 10 kbar 50 kbar

Bradley et al.; Transactions of the Faraday Society; vol. 65; (1969); p. 1920,1925, View in Reaxys

Kaliumcyanid KCN: Rk. mit Aceton (Kinetik, Variat. des Loesungsm.); Rk. mit Methyljodid (Kinetik)

Tommila; Airo; Suomen Kemistilehti B; vol. 42; (1969); p. 104, View in Reaxys

Kaliumcyanid KCN: Einfl. auf Rk. von Hydrazin und <Fe(CN)6>(3-) (mit und ohne Ggw. von anorg. Elektrolytten)

Meehan et al.; Suomen Kemistilehti B; vol. 42; (1969); p. 159,161, View in Reaxys

Kaliumcyanid KCN: Einfl. auf Dehydratisierung von Phenyldihy-

Clark,V.M. et al.; Journal of the Chemical Society [Section] C: Organic; (1969); p. 74 79, View in Reaxys

22/296

2018-01-18 00:45:07

drogenphosphat in Ggw. von Chlormethylmethylether K-Salz: Rk. mit 2.2'-Methylen-bis(cyclohexanon) u. NH2-NH2 in Essigsaeure -> 10Amino-4a.10adicyan-perhydroacridin

Kaminskii et al.; Chemistry of Heterocyclic Compounds (New York, NY, United States); vol. 5; (1969); p. 138; Khimiya Geterotsiklicheskikh Soedinenii; vol. 5; (1969); p. 181, View in Reaxys

K-Salz: Rk. mit 2.2'-Methylen-bis(cyclohexanon) u. Formylhydrazin in Essigsaeure -> 10-Formylamino-4a.10a-dicyanperhydroacridin

Kaminskii et al.; Chemistry of Heterocyclic Compounds (New York, NY, United States); vol. 5; (1969); p. 138; Khimiya Geterotsiklicheskikh Soedinenii; vol. 5; (1969); p. 181, View in Reaxys

Kaliumcyanid KCN: Rk. mit 1. Kohlenstoffdiselenid, 2. Tetraphenylarsoniumchlorid --> Tetraphenylarsonium-4-cyan-1,2,3-triselenacyclobutanid

Prokop et al.; Zeitschrift fuer Chemie (Stuttgart, Germany); vol. 9; (1969); p. 156, View in Reaxys

Rk. des CyanidIons mit trans-1,2Diamino-cyclohexan-N,N,N',N'tetraacetato-cobaltat(II)-ion <CoCy>2- zu <CoCyCN>3- bzw. zu <Co(CN)5>3-: Kinetik

Jones; Margerum; Inorganic Chemistry; vol. 8; (1969); p. 1486, View in Reaxys

KCN: Rk. mit 1,4a-Dimethyl-4,4a,5,6-tetrahydro-3H-naphthalinon-(2) <Ethanol> --> 1ref-Methyl-2trans-hydroxy-2amino-4a-transmethyl-7-trans-cyan-decahydronaphthalin-8a-ciscarbonsaeurelactam

Rodig; Johnston; Journal of Organic Chemistry; vol. 34; (1969); p. 1949,1953, View in Reaxys

KCN: Rk. mit 1,4a-Dimethyl-4,4a,5,6-tetrahydro-3H-naphthalinon-(2) <NH4Cl> --> 1ref-Methyl-2oxo-4a-transmethyl-7-cis,8atrans-dicyan-decahydronaphthalin, 1-ref-Methyl-2oxo-4a-trans-

Rodig; Johnston; Journal of Organic Chemistry; vol. 34; (1969); p. 1949,1953, View in Reaxys

23/296

2018-01-18 00:45:07

methyl-7-trans, 8a-cis-dicyandecahydronaphthalin Natriumcyanid NaCN: IR-Sp.

Ahlijah; Mooney; Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy; vol. 25; (1969); p. 619, View in Reaxys

CN- , Kin. der Rk. m. (SCN)2

Stedman; Whincup; Journal of the Chemical Society [Section] A: Inorganic, Physical, Theoretical; (1969); p. 1145, View in Reaxys

Cyan

Safrany; Jaster; Journal of Physical Chemistry; vol. 72; (1968); p. 3323, View in Reaxys

KAu(CN)2Br2: γ(max)

Gupta; Naturwissenschaften; vol. 55; (1968); p. 442, View in Reaxys

(Forts.): Mechanismus)

Momose et al.; Chemical and Pharmaceutical Bulletin; vol. 16; nb. 12; (1968); p. 2370, View in Reaxys

KCN: Rk. mit <Rh(CO)2Cl>2 -> K3<RhH(CN)5>

Krogmann; Binder; Journal of Organometallic Chemistry; vol. 11; (1968); p. P27, View in Reaxys

Kaliumcyanid KCN: N-Elektronen Bindungsenergie

Hollander, Jack M.; Hendeickson, David N.; Jolly, William L.; The Journal of Chemical Physics; vol. 49; nb. 7; (1968); p. 3315 - 3316, View in Reaxys

Natrioumcyanid: anodische Rk mit subst. Benzolen

Susuki et al.; Bulletin of the Chemical Society of Japan; vol. 41; (1968); p. 2663, View in Reaxys

K-Salz (KCN). C. γ-Bestrahlung -> (CN)2- (EPR)

Root; Symons; Journal of the Chemical Society [Section] A: Inorganic, Physical, Theoretical; (1968); p. 21, View in Reaxys

Na2Fe(CN)5NO: Komplexe m. NaN3, KCN: jew. Abs.-Sp.

Dempir; Masek; Inorganica Chimica Acta; vol. 2; (1968); p. 402, View in Reaxys

Kaliumcyanid KCN: Verduennungswaerme von Loesungen

Cudey; Bulletin de la Societe Chimique de France; (1968); p. 3177,3180,3183, View in Reaxys

Cyanid: Rk. m. LactoperoxidaseEnzym (Kinetik): k, K

Dolman et al.; Biochemistry; vol. 7; (1968); p. 3991,3993, 3995, View in Reaxys

CN : B2Σ > A2Π(i) Absorptionsbanden von 410-500nm

LeBlanc; Journal of Chemical Physics; vol. 48; (1968); p. 1841, View in Reaxys

Kaliumcyanid KCN: Schmelzpunktskurve bei Drucken bis 40kbar

Pistorius et al.; Journal of Chemical Physics; vol. 48; (1968); p. 5123,5127, View in Reaxys

CsCN : Cp (Tab. 2, Fig.2), ΔH0, S0 des Uebergangs (Tab.5)

Sugisaki et al.; Bulletin of the Chemical Society of Japan; vol. 41; (1968); p. 1747,1748-1753, View in Reaxys

RbCN : Cp (Tab. 1, Fig.1), ΔH0, S0 des Uebergangs (Tab.4)

Sugisaki et al.; Bulletin of the Chemical Society of Japan; vol. 41; (1968); p. 1747,1748-1753, View in Reaxys

Kaliumcyanid KCN: Umwandlungstemperatu-

Pistorius et al.; Journal of Chemical Physics; vol. 48; (1968); p. 5123,5127, View in Reaxys

24/296

2018-01-18 00:45:07

ren aller polymorphen Phasen Kaliumcyanid KCN: Phasendiagramm bei -100grad bis +200grad u. 1-40kbar

Pistorius et al.; Journal of Chemical Physics; vol. 48; (1968); p. 5123,5127, View in Reaxys

Kaliumcyanid KCN: Rk. mit einer aromat. heterocycl. Nitroverb., 1. Mitt.

Okamoto,T.; Takahashi,H.; Chemical and Pharmaceutical Bulletin; vol. 16; nb. 9; (1968); p. 1700 - 1704, View in Reaxys

Natriumcyanid: Schmelzpunktskurve fuer kubische Kristalle (NaCN I) von 0-30kbar

Pistorius; Boeyens; Journal of Chemical Physics; vol. 48; (1968); p. 1018, View in Reaxys

Na-cyanid: Pyrolyse von Ba-cyanamid (14C-markiert) in Gegenwart von TiO2 und Na

Vercier; Journal of Labelled Compounds; vol. 4; (1968); p. 91,92, View in Reaxys

Kaliumcyanid: NMR-Parameter (13C-Relaxation); Potentialschwelle der Rotation

Fukushima; Journal of Chemical Physics; vol. 49; (1968); p. 4721, View in Reaxys

Ammoniumcyanid NH4CN: Bildung aus CH4, NH3 und Wasser (durch elektr. Entladung)

Czuchajowski et al.; Roczniki Chemii; vol. 42; (1968); p. 869; Ann. Soc. Chim. Polonorum, View in Reaxys

K-cyanid: Pyrolyse von 14Cmarkiertem Bacyanamid in Gegenwart von TiO2 und metall. K

Vercier; Journal of Labelled Compounds; vol. 4; (1968); p. 91,92, View in Reaxys

Natriumcyanid: Orthorhombischkubischer Uebergang der Kristalle bei Drucken bis 40kbar

Pistorius; Boeyens; Journal of Chemical Physics; vol. 48; (1968); p. 1018, View in Reaxys

Clathrat mit β-Hydrochinon: 3HCN*C6H6O2: Aenderung der Dielektrizitaetskonstante bei 100-260K

Davies; Williams; Transactions of the Faraday Society; vol. 64; (1968); p. 529,543, View in Reaxys

Clathrat mit β-Hydrochinon: 3HCN*C6H6O2: B. bei der Krist. v. Hydrochinon aus fluessiger Blausaeure

Davies; Williams; Transactions of the Faraday Society; vol. 64; (1968); p. 529,543, View in Reaxys

25/296

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Kaliumcyanid KCN: Ligandenaustausch mit 1,4-Dimethyl-bis(cis-1,2-diphenylethylendithiolato(1,2,)-nickel

Schrauzer,G.N.; Rabinowitz,H.N.; Journal of the American Chemical Society; vol. 90; (1968); p. 4297 - 4302, View in Reaxys

CN-Radikal : Abs.Banden(300-670nm) fuer die roten (A2Π > X2Σ) und violetten (B2Σ > X2Σ) Banden

LeBlanc; Journal of Chemical Physics; vol. 48; (1968); p. 1980, View in Reaxys

Kaliumcyanid KCN: Rk. mit 1,1Diethyl-3-hydroxyazetininiumchlorid --> 4-Diethylamino-3-hydroxybutyronitril

Geartner,V.R.; Journal of Organic Chemistry; vol. 33; nb. 2; (1968); p. 523 - 530, View in Reaxys

KCN: Rk. mit 1. 1Brompentanon(4) <Hexametapol, 50grad>, 2. Hydrolyse --> 2Methyl-2-cyan-tetrahydrofuran

Leroux,Y.; Bulletin de la Societe Chimique de France; (1968); p. 352 - 358, View in Reaxys

Ag-Cyanid: Stabilitaetskonstante in geschmolzenem LiCl + KCl u. in geschmolzenem NaNO3 + KNO3, jeweils bei 350grad

White et al.; Transactions of the Faraday Society; vol. 64; (1968); p. 2841,2848, View in Reaxys

Kaliumcyanid KCN: Rk. mit Benzo<f>chinolin und Ethylchlorformiat --> 3-Cyan-4-ethoxycarbonyl-3,4-dihydrobenzo<f>chinolin

Katz; Popp; Journal of Heterocyclic Chemistry; vol. 5; (1968); p. 249, View in Reaxys

Kaliumcyanid KCN: Rk. mit Nicotinamidmononucleotid --> 4-(Py.)cyan-nicotinamidmononucleotid; analoge Rk. mit Nucleotiden

Lindquist; Cordes; Journal of the American Chemical Society; vol. 90; (1968); p. 1269, View in Reaxys

Cr4<Fe(CN)6>3: Untersuchung der Isomerisierung der Cyanidbindung (k); χ(g); μ(eff.); IR; Moessbauer-Sp.; Roentgendiffraktom.

Brown et al.; Inorganic Chemistry; vol. 7; (1968); p. 77,78,79,81-83, View in Reaxys

Fe(1-6)<Cr(CN)6 >(OH)(0-2): Untersuchung der Isomerisierung der Cyanidbin-

Brown et al.; Inorganic Chemistry; vol. 7; (1968); p. 77,78,79,81-83, View in Reaxys

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dung (k); χ(g); μ(eff.); IR; Moessbauer-Sp.; Roentgendiffraktom. Kaliumcyanid KCN: Rk. mit Phthalazin und Bernzoylchlorid -> 1-Cyan-2-benzoyl-1,2-dihydrophthalazin; analoge Rk. mit anderen Saeurechloriden

Popp et al.; Journal of Heterocyclic Chemistry; vol. 5; (1968); p. 879, View in Reaxys

Kaliumcyanid KCN: Rk. mit Rk. mit Pyridoxal --> entspr. Cyanhydrin --> 2-Imino-3hydroxy-4-hydroymethyl-7-methyl-2,3-dihydro-furo<2,3-c>pyridin

Takanashi; Tamura; Yoshino; Iidaka; Chemical and pharmaceutical bulletin; vol. 16; nb. 4; (1968); p. 758 - 759, View in Reaxys

Kaliumcyanid KCN: Umwandlung durch Neutronenbestrahlung <14N(n,p)14C> --> <14C>-Cyanwasserstoff, 14C,<14C>-Cyanamid und <14C>Acetylen

Kuhry; Adloff; Bulletin de la Societe Chimique de France; (1968); p. 2402, View in Reaxys

Kaliumcyanid KCN: Rk. mit Benzylhydrodisulfid <N2, Dioxan bzw. N2, KOH, Dioxan-Wasser> --> H2S, α-Toluolthiol, Dibenzyldisulfid, Dibenzyltrisulfid und KSCN

Kawamura et al.; Journal of Organic Chemistry; vol. 33; (1968); p. 1179, View in Reaxys

Kaliumcyanid KCN: Rk. mit NPropyl-3-carbamoyl-pyrimidiniumjodid --> 4Cyan-1,4-dihydroN-propylnicotinamid; analoge Rk. mit N-substituierten Pyridiniumhalogeniden

Lindquist; Cordes; Journal of the American Chemical Society; vol. 90; (1968); p. 1269, View in Reaxys

Kaliumcyanid KCN: Rk. mit NBenzyloxycarbonyl-Gly-<2-(p-toluolsulfonyl)-ethylester> <wss. Dioxan> --> 2-(pToluolsulfonyl)propionitril und Nbenzyloxycarbonyl-Gly-Gly

Miller; Stirling; Journal of the Chemical Society. Perkin transactions 1; vol. 21; (1968); p. 2612 - 2617, View in Reaxys

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KCN: Rk. mit 1,1,2-Trichlor-2,2difluorethan in wss. Methanol bzw. Wasser/ Aceton --> 3,3-Dichlor-2,2-difluorpropionsaeuremethylester-imid bzw. 3,3-Dichlor-2,2-difluorpropionsaeureamid

Troilo; Gambaretto; Annali di Chimica (Rome, Italy); vol. 58; (1968); p. 25,28, 30, View in Reaxys

Kaliumcyanid KCN: Komplexbildung mit Ni(ClO4)2*6H2O <2,2-dimrthoxypropan, Ethanol> und Triphenylphosphit zu trans Dicyano-tris-(Triphenylphosphit)nickel(II) und trans-dicyano-tris(trimethylphosphit)-nickel(II)

Coskran,K.J. et al.; Journal of the American Chemical Society; vol. 90; (1968); p. 5437 5442, View in Reaxys

Kaliumcyanid KCN: Rk. mit Mesylat von 2-cisEthyl-2-(3-hydroxypropyl)-(11b ref H)-2,3,5,6,11,11bhexahydro-1H-indolizino<8,7-b>indol --> 3-Desmethoxycarbonyl-3cyan-vincadin und 3-Desmethoxycarbonyl-3-cyanepivincadin; analoge Rk.

Kutney; Chan; Failli; Fromson; Gletsos; Nelson; Journal of the American Chemical Society; vol. 90; nb. 14; (1968); p. 3891 - 3893, View in Reaxys

Kaliumcyanid KCN: Rk. mit 2Phenyl-1,3-bis-tosyloxypropan --> 3-phenyl-4-tosyloxybutyronotril -> 3-Phenylglutarodinitril, cis-βMethylcinnamonitril, trans-β-Methylcinnamonitril und 2-Phenyl-2methylsuccinonitril (Var. der Lsgm., Mechan.)

Seyden-Penne; Loupy; Tetrahedron Letters; (1968); p. 6079, View in Reaxys

Kaliumcyanid KCN: Rk. mit mDinitrobenzol und Ethanol --> 2Ethoxy-6-nitrobenzonitril, 3,5Diethoxybenzol-1,2-dicarbonitril, 2,3-Dihydro-4(oder 6)-ni-

Momose et al.; Chemical and Pharmaceutical Bulletin; vol. 16; nb. 12; (1968); p. 2370, View in Reaxys

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tro-3-oxo-1H-indazol-7-carbonitril und 2,3-Dihydro-6-nitro-3oxo-1H-indazol-5carbonitril ( Au(III)-Salz: K<Au(CN)4>: IR

Mason; Gray; Inorganic Chemistry; vol. 7; (1968); p. 55,58, View in Reaxys

K4Fe(CN)6*3H2O (11): Moessbauer

Berrett et al.; Journal of the Chemical Society [Section] A: Inorganic, Physical, Theoretical; (1968); p. 1575,1577, View in Reaxys

KCN (P)

Schenk; Tulhoff; Berichte der Bunsen-Gesellschaft; vol. 71; (1967); p. 1155, View in Reaxys

NaCN: 14N-NMR

Witanowski; Januszewski; Journal of the Chemical Society [Section] B: Physical Organic; (1967); p. 1062, View in Reaxys

Ag-Salz: Leitfaehigkeit

Bhat et al.; Inorganic and Nuclear Chemistry Letters; vol. 3; (1967); p. 409,414, View in Reaxys

KCN: 14N-NMR

Witanowski; Januszewski; Journal of the Chemical Society [Section] B: Physical Organic; (1967); p. 1062, View in Reaxys; Witanowski; Tetrahedron; vol. 23; (1967); p. 4299, View in Reaxys

Kaliumsalz: Rk. m. 2-Cyclohexenon

Wenkert et al.; Journal of Organic Chemistry; vol. 32; (1967); p. 3224, View in Reaxys

CN-: Geschw.konst. d. Rk. m. H. (ref. 149)

Anbar; Neta; International Journal of Applied Radiation and Isotopes; vol. 18; (1967); p. 493,520, View in Reaxys

<Fe(CN)6>-3. Rk. mit <CoEDTA>-2 : k, ΔH; Kinetik

Huchital; Wilkins; Inorganic Chemistry; vol. 6; (1967); p. 1022,1025, View in Reaxys

KCN: Elektr. Leitfaehigk. v. Einkrist. (auch Ba2+ doped)

Lothian; Neubert; Journal of Chemical Physics; vol. 47; (1967); p. 3092, View in Reaxys

Kaliumcyanid: Ozonisierung i.Ggw.von Kupfer; Mechanismus

Valtr; Drahovska; Zeitschrift fuer Chemie (Stuttgart, Germany); vol. 7; (1967); p. 435, View in Reaxys

Kaliumcyanid KCN: Rk. mit 1. P4S4O6, 2. Tetrabutylammoniumbromid

Roesky; Chemische Berichte; vol. 100; (1967); p. 2147, View in Reaxys

Kaliumcyanid KCN: Rk. mit 1Aminoadamantan und Formaldehyd --> N-Adamantanyl-(1)-aminoacetonitril

Daeniker; Helvetica Chimica Acta; vol. 50; (1967); p. 2008, View in Reaxys

Kaliumcyanid KCN: Rk. mit 2Nitrophenazin-10oxid und Methanol --> 1-Cyan-2methoxyphenazin-5-oxid

Pietra,S.; Casiraghi,G.; Gazzetta Chimica Italiana; vol. 97; (1967); p. 1826 - 1836, View in Reaxys

Kaliumcyanid KCN: Rk. mit 2Nitrophenazin-10oxid <Pyridin bzw.

Pietra; Casiraghi; Gazzetta Chimica Italiana; vol. 97; (1967); p. 1817, View in Reaxys

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wss. dioxan> --> 1-Cyan-2-nitrophenazin Na-Salz: Rk. m. 1) Hexafluoraceton (2Mol), 2) konz. wss. HCl -> 2,2,5,5-Tetrakistrifluormethyl-4-oxazolidon

Middleton,W.J.; Krespan,C.G.; Journal of Organic Chemistry; vol. 32; (1967); p. 951 953, View in Reaxys

Kaliumcyanid KCN: Rk. mit 7Acetonyltheophyllin <(NH4)2CO3, 50-60grad> --> 5Methyl-5-(theophyllinyl-(7)-methyl)-hydantoin

Klosa; Journal fuer Praktische Chemie (Leipzig); vol. 36; (1967); p. 311, View in Reaxys

Kaliumcyanid KCN: Rk. mit 2Nitrophenazin-10oxid und Methanol --> 1-Cyan-2methoxyphenazin; analoge Rk. mit weiteren Alkoholen

Pietra; Casiraghi; Gazzetta Chimica Italiana; vol. 97; (1967); p. 1817, View in Reaxys

Kaliumcyanid KCN: Rk. mit 2Nitrophenazin und Methanol --> 1-Cyan-2-methoxyphenazin und 1Oxo-1,2-dihydro-3H-pyrazolo<4,3-a>phenazin

Pietra,S.; Casiraghi,G.; Gazzetta Chimica Italiana; vol. 97; (1967); p. 1826 - 1836, View in Reaxys

Na-Salz: Rk. mit aromatischen Verbindungen in DMSO oder DMF: Konstitution und spektroskopische Eigenschaften der erhaltenen MolKomplexe

Vickery; Chemistry and Industry (London, United Kingdom); (1967); p. 1523, View in Reaxys

Kaliumcyanid KCN: Rk. mit 4Chlormethyl-3,5diacetyl-1,4-dihydro-2,6-lutidin <ethanol/Wasser> --> 2,7-Dimethyl-3,6-diacetyl-4-cyan-4,5-dihydroazepin

Allgrove; Eisner; Tetrahedron Letters; (1967); p. 499, View in Reaxys

Na-Salz: Rk. m. 1) Hexafluoraceton (.6Mol) in Acetonitril o. Benzonitril (70grad) 2) Dimethylsulfat > 3,3,3-Trifluor-2methoxy-2-tri-

Middleton,W.J.; Krespan,C.G.; Journal of Organic Chemistry; vol. 32; (1967); p. 951 953, View in Reaxys

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fluormethyl-propionitril Kaliumcyanid KCN: Rk. mit Benzylamin und Chloracetaldehyd --> N-Benzyl-αamino-β-chlorpropionitril-Hydrochlorid; analoge Rk. mit anderen Alkylaminen und Chloracetaldehyd

Zotova,S.A.; Yashunskii,V.G.; Zhurnal Organicheskoi Khimii; vol. 3; nb. 10; (1967); p. 1889 - 1896,1843 - 1848, View in Reaxys

Anion CN- u. Kation CN+

Yonezawa et al.; Bulletin of the Chemical Society of Japan; vol. 40; (1967); p. 1071,1072,1076, View in Reaxys

Na<Fe(CN)5NO> *2 H2O: IR-Sp.

Tosi; Comptes Rendus des Seances de l'Academie des Sciences, Serie B: Sciences Physiques; vol. 265; (1967); p. 1020, View in Reaxys

KCu(CN)2-Salz: Leitfaehigkeit

Bhat et al.; Inorganic and Nuclear Chemistry Letters; vol. 3; (1967); p. 409,414, View in Reaxys

Se(CN)2, S. 1345

Aynsley et al.; Journal of the Chemical Society [Section] A: Inorganic, Physical, Theoretical; (1966); p. 1344, View in Reaxys

Fe(II)

Collins et al.; Journal of Inorganic and Nuclear Chemistry; vol. 28; (1966); p. 1001, View in Reaxys

Fe(III)

Collins et al.; Journal of Inorganic and Nuclear Chemistry; vol. 28; (1966); p. 1001, View in Reaxys

K33+<Fe(CN)6>3-: Photochem Rk. (Mech.)

Moggi et al.; Journal of Inorganic and Nuclear Chemistry; vol. 28; (1966); p. 2589, View in Reaxys

K33+<Co(CN)6>3-: Photochem Rk. (Sp., Quantenausbeute)

Moggi et al.; Journal of Inorganic and Nuclear Chemistry; vol. 28; (1966); p. 2589, View in Reaxys

Natriumcyanid NaCN : Bildungswaerme Fe +NaCNS > FeS +NaCN

Dombrovskaya et al.; J. Appl. Chem. USSR (Engl. Transl.); vol. 39; (1966); p. 1230,1155,1156,1157, View in Reaxys

Quecksilber(II)cyanid: Kraftkonstanten, auch v. 13C u.15N-Species

Smith. Jones; Journal of Chemical Physics; vol. 44; (1966); p. 3643, View in Reaxys

Na-Salz: Rk. m. Phthalaldehyd, sd. wss. NaHCO3 -> 11-Keto-indeno<1,2-c>-isochinolin-carbonsaeure-(1)-amid

Wawzonek et al.; Journal of Organic Chemistry; vol. 31; (1966); p. 1004,1006, View in Reaxys

Natriumcyanid NaCN: EPR-Sp. nach γ-Bestrahlg. bei 700K; Hyperfeinaufspaltg. und g-Faktor; ueber ein F-Zentrum

Claxton et al.; Transactions of the Faraday Society; vol. 62; (1966); p. 2050,2051, View in Reaxys

Cu(I)-Salz CuCN: Komplex mit Hydrazin CuCN*N2H4: Dichte d. Kristalle: 2.37; Atomab-

Cromer et al.; Acta Crystallographica; vol. 20; (1966); p. 279,280, 282, View in Reaxys

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staende, Bindungswinkel; Molekuelstruktur Cu(I)-Salz CuCN: Komplex mit Hydrazin CuCN*N2H4: Roentgenographische Untersuchung d. Kristallstruktur (orthorhombisch; Raumgruppe Pbcm; a= 4.684A, b= 9.172A, c= 7.830A; n= 4)

Cromer et al.; Acta Crystallographica; vol. 20; (1966); p. 279,280, 282, View in Reaxys

Kaliumcyanid: 14N-NMR-Abs.

Kent; Wagner; Journal of Chemical Physics; vol. 44; (1966); p. 3530, View in Reaxys

KCN: P.

Suga et al.; Bulletin of the Chemical Society of Japan; vol. 38; (1965); p. 1115, View in Reaxys

Co(NH3)5CN2+: Red m. Cr2+, k

Espenson; Birk; Journal of the American Chemical Society; vol. 87; (1965); p. 3280, View in Reaxys

Komplex Na4<Fe(CN)6>; AbsorptionsSpektrum

Beck; Feldl; Zeitschrift fuer Anorganische und Allgemeine Chemie; vol. 341; (1965); p. 113,114, View in Reaxys

CrNC2+: Isomerisierung, k; Hydratation, k

Espenson; Birk; Journal of the American Chemical Society; vol. 87; (1965); p. 3280, View in Reaxys

Natrium-Salz NaCN: Adsorption an Hg aus wss. Lsg.

Wroblowa et al.; Transactions of the Faraday Society; vol. 61; (1965); p. 1523, View in Reaxys

Hg(CN)42-: Gl.gew. mit Hg(CN)3-, CN- : Gl.gew.quot. Q4, K4

Christensen et al.; Inorganic Chemistry; vol. 4; (1965); p. 1278,1279,1280, View in Reaxys

NaCN: Rk. mit 2Pyron in DMF --> 5-trans-Cyan-2cis-4-pentadiensaeure

Vogel,G.; Journal of Organic Chemistry; vol. 30; (1965); p. 203 - 207, View in Reaxys

Kaliumsalz KCN: Rk. mit 1. wss. A., 3-Methyl-furfural, 2. HarnstoffAmeisensaeure

Clauson-Kaas et al.; Acta Chemica Scandinavica (1947-1973); vol. 19; (1965); p. 1147,1150, View in Reaxys

Geschw. d. Rk. v. Cyanid-Ionen m. Tetrathionat bei pH9.85 u. 25grad in Ggw. verschiedener Salze

Indelli; Bartocci; Annali di Chimica (Rome, Italy); vol. 55; (1965); p. 92,95, View in Reaxys

CN-: mit Hg2+ Bildung von HgCN+, Hg(CN)2 , Hg(CN)3- , Hg(CN)42- : Ki, ΔHigrad , ΔSi-

Christensen et al.; Inorganic Chemistry; vol. 4; (1965); p. 1278,1279,1280, View in Reaxys

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grad , ΔGigrad (i = 1-4) Kalium-Salz KCN: Die von Elliott, Hastings (Acta cryst. 14 <1961> 1018) angegebenen Strukturfaktoren (aus der Elektronenbeugung) sind falsch

Sequeira; Acta Crystallographica; vol. 18; (1965); p. 291, View in Reaxys

Hg(CN)3-: Gl.gew. mit CN-, Hg(CN)42-: Gl.gew.quot. Q4 , K4, ΔG4grad,Δ H4grad, ΔS4grad ; Gl.gew. mit Hg(CN)2 u. CN-: Gl.gew.quot. Q3, K3

Christensen et al.; Inorganic Chemistry; vol. 4; (1965); p. 1278,1279,1280, View in Reaxys

Kaliumcyanid KCN: Kinetik und thermodynamische Fkt. der Rk. mit Methylfluorid, mit Methylchlorid, mit Methylbromid u. mit Methyliodid in wss. Lsg.

Marshall; Moelwyn-Hughes; Journal of the Chemical Society; (1965); p. 7119, View in Reaxys

HgCN+: Gl.gew. mit Hg2+ u. Hg(CN)2: Gl.gew.quot. Q1/ Q2 ; Gl.gew. mit Hg2+ , CN- : K1 ; Gl.gew. mit CN- ,Hg(CN)2 : K2, ΔS2grad, ΔH2grad, ΔG2grad

Christensen et al.; Inorganic Chemistry; vol. 4; (1965); p. 1278,1279,1280, View in Reaxys

Hg(CN)2: Gl.gew. mit Hg2+ , CN- : Gl.gew.quot. Q1/Q2; Gl.gew. mit Hg2+, HgCN+: Gl.gew.quot. Q1/Q2; Gl.gew. mit HgCN+, CN-: K2 ; Gl.gew. mit CN-, Hg(CN)3-: Gl.gew.quot. Q3 , K3, ΔS3grad, ΔH3grad, ΔG3grad

Christensen et al.; Inorganic Chemistry; vol. 4; (1965); p. 1278,1279,1280, View in Reaxys

Kalium-Salz KCN: 14N-NMR-Abs.

Herbison-Evans; Richards; Molecular Physics; vol. 8; (1964); p. 19,26, View in Reaxys

KCN : Rk. mit 1. SO2, 5h, 50grad; 2. W.

Ross,J.M.; Journal of the American Chemical Society; vol. 86; (1964); p. 2869 - 2874, View in Reaxys

CN- in Einkristallen von KCl, KBr: Transmissionssp.

Narayanamurti; Physical Review Letters; vol. 13; (1964); p. 693, View in Reaxys

33/296

2018-01-18 00:45:07

Na-Salz: 23NaNMR-Abs. bei Tempp. v. 15 -170grad (kubisch)

Coogan; Gutowsky; Journal of Chemical Physics; vol. 40; (1964); p. 3419, View in Reaxys

KCN : Rk. mit SO2, W., 0grad zum Di-kaliumsalz der Aminomethandisulfonsaeure

Ross,J.M.; Journal of the American Chemical Society; vol. 86; (1964); p. 2869 - 2874, View in Reaxys

Kaliumcyanid: Reinigung (Vakuum-Schmelze, Zonenschmelzung) u. Wachstum v. Einzelkristallen

Neubert; Susman; Journal of Chemical Physics; vol. 41; (1964); p. 722, View in Reaxys

KCN: Rk.m. trans-Trimethyl<buten-(1)-on-(3)yl>-ammoniumchlorid zu transMethyl-<2-cyanvinyl>-keton

Benson; Pohland; Journal of Organic Chemistry; vol. 29; (1964); p. 385,386, View in Reaxys

Ni(II)-Salz, Ni(CN)2: Roentgenpulverdiagramme von Komplexen mit NH3 und vom Clathrat, Ni(CN)2*NH3*C6 H6

Bhatnagar; Cloutier; Chemistry and Industry (London, United Kingdom); (1964); p. 707, View in Reaxys

Pb-Salz PbCN: orthorhombisch; Dimensionen d. Elementarzelle (aus RoentgenDiagramm): a= 5.54 A, b = 11.69 A, c= 3.86 A

Adams et al.; Acta Crystallographica; vol. 17; (1964); p. 1449,1450, View in Reaxys

KCN : Rk. mit 1. SO2, 5h, 50grad; 2. W., 70grad; 3. Acn., 72h bei Raumtemp. zum Di-kaliumsalz der Aminocyanomethandisulfonsaeure (XIV, 2874)

Ross,J.M.; Journal of the American Chemical Society; vol. 86; (1964); p. 2869 - 2874, View in Reaxys

Thallium-Salz TlCN: die von Deb, Yoffe (Trans Faraday Soc. 55 <1959> 1) angegebene Kristallform u. Dimensionen d. Elementarzelle wurden revidiert

Adams et al.; Acta Crystallographica; vol. 17; (1964); p. 1449,1450, View in Reaxys

Thallium-Salz TlCN: Die von Deb, Yoffe (Trans

Adams et al.; Acta Crystallographica; vol. 17; (1964); p. 1449,1450, View in Reaxys

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2018-01-18 00:45:07

Faraday Soc. 55 <1959> 1) angegebene Kristallform u. Dimensionen d. Elementarzelle wurdem revidiert KCN : Rk. mit 1. SO2, 5h, 50grad; 2. W., 70grad; 3. A., 72h bei Raumtemp. zum K-Salz der Aminocarbamoylcyanomethansulfonsaeure (XIII, S.2873 u. 2874)

Ross,J.M.; Journal of the American Chemical Society; vol. 86; (1964); p. 2869 - 2874, View in Reaxys

Na-Salz Na2CN2: F: ca. 560grad; Raumgruppe P222(1); Dimensionen d. Elementarzelle (aus Roentgendiagramm): a= 10.31A, b= 9.15A, c= 7.20A, n=12; D= 2.5<g*cm-3>

Adams et al.; Acta Crystallographica; vol. 17; (1964); p. 1449,1450, View in Reaxys

Pb-Salz PbCN: orthorhombisch; Raumgruppe Pna2(1); Dimensionen d. Elementarzelle (aus Roentgen-Diagramm): a= 5.553A, b = 11.732A, c= 3.867A, n= 4; D= 6.27 <g*cm-3>

Cooper; Acta Crystallographica; vol. 17; (1964); p. 1452,1455, View in Reaxys

Ag-Salz AgCN: monoklin; Raumgruppe P 2(1)/c; Dimensionen d. Elementarzelle (aus RoentgenDiagramm): a= 7.26 A, b= 5.92 A, c= 6.61 A; β= 102grad21'; n=4; D: 5.96<g*cm-3>

Adams et al.; Acta Crystallographica; vol. 17; (1964); p. 1449,1450, View in Reaxys

Thallium-Salz TlCN: triklin; Dimensionen d. Elementarzelle (aus Roentgen-Diagramm): a= 9.99 A, b= 6.57 A, c= 5.39 A; α= 111.9grad, β= 99.7grad, γ= 98.2grad; n=3; D: 7<g*cm-3>

Adams et al.; Acta Crystallographica; vol. 17; (1964); p. 1449,1450, View in Reaxys

Addukt mit SbCl5: CHN+SbCl5: aus den Komponent-

Allenstein,E.; Schmidt,A.; Chemische Berichte; vol. 97; (1964); p. 1863 - 1870, View in Reaxys

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en, CH2Cl2 (2Ograd); Krist. Nd. (Rohprod. im Vak. getrocknet); Loeslichkeit d. Prod.s in CH2Cl2 bei 20grad = 7.2g in 100ccm; IR-Sp. in Nujol (2.5 - 15 μ) (Abb. 1) KCN : Rk. mit SO2 (Ueberschuss), Acetonitril ohne zusaetzl. Erwaermen oder 2h/75grad im Autoklav oder ohne Lsgsm. 4h/60grad im Autoklav zu 3Cyano-4-hydroxy-1.2.5-thiadiazol-kaliumsalz; Rk.exoterm; Abh. d. Ausbeute v.d. Reaktionsbed. S. 2865

Ross,J.M.; Smith,W.C.; Journal of the American Chemical Society; vol. 86; (1964); p. 2861 - 2868, View in Reaxys

Li-cyanid LiCN: aus Butyl-Li, wfr. HCN, Bzl. unter N2; F= 161-162grad; Rk. m. Phenacylbromid -> Benzoylacetonitril; Rk. m. Diphenylchlorphosphin-sulfid (I) -> Diphenyl-cyanphosphin-sulfid (III); Rk. m. Dichlor-diphenyl-silan -> Forts.next p.

Johns; DiPietro; Journal of Organic Chemistry; vol. 29; (1964); p. 1970, View in Reaxys

Forts.: Dicyan-diphenyl-silan

Johns; DiPietro; Journal of Organic Chemistry; vol. 29; (1964); p. 1970, View in Reaxys

Hg(CN)2: UV-Sp. (195 - 225 mμ)

Beck; Gaizer; Acta Chimica Academiae Scientiarum Hungaricae; vol. 41; (1964); p. 423,424, View in Reaxys

Quecksilbersalz Hg(CN)2: RamanSp.

Jones; Spectrochimica Acta; vol. 19; (1963); p. 1675,1676, View in Reaxys

KCN: Loeslichkeit in Tetramethylharnstoff

Luettringhaus,A.; Dirksen,H.-W.; Angewandte Chemie; vol. 75; (1963); p. 1059 - 1068, View in Reaxys

NaCN: Loeslichkeit in Tetramethylharnstoff

Luettringhaus,A.; Dirksen,H.-W.; Angewandte Chemie; vol. 75; (1963); p. 1059 - 1068, View in Reaxys

K4W(CN)8*2 H2O: aus K3W2CL6, orange, χ

Heintz; Inorganic Syntheses; vol. VII; (1963); p. 142,143,145, View in Reaxys

K-Salz: Geschwindigkeit d. Hydrolyse; Kinetik

Stuehr et al.; Journal of Chemical Physics; vol. 38; (1963); p. 587, View in Reaxys

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Quecksiber(II)-cyanid Hg(CN)2: IRSp. (40 -160 μ)

Lorenzelli; Delorme; Spectrochimica Acta; vol. 19; (1963); p. 2033,2037, View in Reaxys

Kaliumcyanid KCN: 14C-markiertes Praeparat: aus KCN, Ba14CO3, 800grad

Pichat et al.; Bulletin de la Societe Chimique de France; (1963); p. 1792, View in Reaxys

Arsen-Salz As<CN>3: Atomabstaende u. Bindungswinkel (a.d.Elektronenbeugung)

Emerson; Britton; Acta Crystallographica; vol. 16; (1963); p. 113,114, View in Reaxys

NaCN: Umsetzung mit aliphatischen sowie aromatischen Nitroverbindungen in Ggw. von p-Nitroso-dimethylanilin

Kroehnke,F.; Steuernagel,H.H.; Chemische Berichte; vol. 96; (1963); p. 494 - 497, View in Reaxys

Kalium-Salz (Kalium-cyanid): K +<CN>-: Konventionelle Hydratisierungsenthalpie fuer Anion u. Kation bei 298 K u. 1 at.

Halliwell; Nyburg; Transactions of the Faraday Society; vol. 59; (1963); p. 1126,1134, View in Reaxys

Natrium-Salz (Natrium-cyanid): Na +<CN>-: Konventionelle Hydratisierungsenthalpie fuer Anion u. Kation bei 298 K u. 1 at.

Halliwell; Nyburg; Transactions of the Faraday Society; vol. 59; (1963); p. 1126,1134, View in Reaxys

Arsen-Salz As<CN>3: B. AsCl3, AgCN, 100grad, verminderter Druck; subl. bei 200grad unter vermind. Druck; hygroskopisch; D=1.831g/cm3

Emerson; Britton; Acta Crystallographica; vol. 16; (1963); p. 113,114, View in Reaxys

Natriumsalz: Rk.mit Chloracetaldehyd in W., -10 bis 0grad, 25 Min. zu 2-Chlor-1cyan-ethylacetat; neben Chlor-acetaldehyd, Cyanhydrin u. Essigsaeure

Nowak; Journal of Organic Chemistry; vol. 28; (1963); p. 1182,1186, View in Reaxys

Arsen-Salz As<CN>3: Roentgenographische Unters. der Kristallstruktur (monoklin, Raumgr.

Emerson; Britton; Acta Crystallographica; vol. 16; (1963); p. 113,114, View in Reaxys

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C3(2)-C2, a=9.19A, b=6.90A, c=8.92A, β=101.2grad); Kristallstruktur l.c.S.116 Loeslichkeit von Jod in wss. Kaliumrhodanid-Lsg.

Jakowlew; Ukrainskii Khimicheskii Zhurnal (Russian Edition); vol. 28; (1962); p. 911,912, View in Reaxys

Loeslichkeit von Jod in wss. AmmoniumrhodanidLsg.

Jakowlew; Ukrainskii Khimicheskii Zhurnal (Russian Edition); vol. 28; (1962); p. 911,912, View in Reaxys

Palladium-Salz Pd(CN)2*2NH3: IR-Max.(KBr); Aequivalentleitfaehigkeit

Nast; Hoerl; Chemische Berichte; vol. 95; (1962); p. 1470,1472, 1474, View in Reaxys

Cadmium-Salz Cd(CN)2: Roentgenograph. Unters. (DebeyScherrer) d. Struktur

GODE; MESNARD; COLLETER; ROY; Comptes rendus hebdomadaires des séances de l'Académie des sciences; vol. 254; (1962); p. 4057 - 4059, View in Reaxys

Kaliumcyanid: Vergiftende Wrkg. auf d. Hydrierung von Cyclohexen an Raney-Nickel

Horner et al.; Justus Liebigs Annalen der Chemie; vol. 660; (1962); p. 1,21, View in Reaxys

Kaliumcyanid KCN: Kryoskopisches Verhalten verduennter Lsgg. in geschm. Kaliumthiocyanat

Riccardi; Franzosini; Gazzetta Chimica Italiana; vol. 92; (1962); p. 386,389, 391, View in Reaxys

Natriumcyanid NaCN: Kryoskopisches Verhalten verduennter Lsgg. in geschm. Kaliumthiocyanat; R.,F., S. 386,390,391

Riccardi; Franzosini; Gazzetta Chimica Italiana; vol. 92; (1962); p. 386,389, 391, View in Reaxys

Kalium-cyanid KCN: Kristallstruktur bei tiefen Temperaturen; Roentgenographische Untersuchung d. Kristallstruktur (monoklin; Raumgruppe Aa; a= 8.97A, b= 4.53A, c= 7.47A; β= 122grad19'); D= 1.69<g*cm-3>

Parry; Acta Crystallographica; vol. 15; (1962); p. 601,605, 606, View in Reaxys

K3<Fe(CN)6>: Dunkel- u. Photoleitf.

Sulzer; Waidelich; Zeitschrift fuer Naturforschung; vol. 16a; (1961); p. 885, View in Reaxys

Hg(II)-Salz: Loeslichkeit in wss. Me.

Michailow; Izvestiya Sibirskogo Otdeleniya Akademii Nauk SSSR, Seriya Khimicheskikh Nauk; vol. 5; (1961); p. 51,52-58; Chem.Abstr.; nb. 26628; (1961), View in Reaxys

38/296

2018-01-18 00:45:07

Na4<Fe(CN)6>*3 H2O: Dunkel- u. Photoleitf.

Sulzer; Waidelich; Zeitschrift fuer Naturforschung; vol. 16a; (1961); p. 885, View in Reaxys

Kaliumcyanid: IRSp. des Dampfes (3500-200 cm-1)

Leroi; Klemperer; Journal of Chemical Physics; vol. 35; (1961); p. 774, View in Reaxys

KCN: Rk. m. H2Ni2(CO)6*4NH 3 in W. oder fl. NH3

Behrens et al.; Chemische Berichte; vol. 94; (1961); p. 1497,1503,1504, View in Reaxys

Natriumcyanid: IR-Sp. des Dampfes (3500-200 cm-1)

Leroi; Klemperer; Journal of Chemical Physics; vol. 35; (1961); p. 774, View in Reaxys

Kalium-Salz KCN: Rk. m. Selen-Pulver -> Cyanseleno-Kalium

Lodzinska; Racka; Roczniki Chemii; vol. 35; (1961); p. 1187,1188, View in Reaxys

Rk. von NaCN mit 1. Decaboran, THF, 4h; 2. Diethylether zu NaB10H12CN*2( C2H5)2O

Aftandilian et al.; Journal of the American Chemical Society; vol. 83; (1961); p. 2471,2474, View in Reaxys

Kaliumcyanid: Bestimmung der Kristallsruktur mit Hilfe der Neutronenbeugung

Elliott; Hastings; Acta Crystallographica; vol. 14; (1961); p. 1018, View in Reaxys

K-Salz: Rk. mit Trifluoracetaldehyd in H2SO4-W. zu β,β,β-Trifluormilchsaeure

Burstein; Ringold; Canadian Journal of Chemistry; vol. 39; (1961); p. 1848, View in Reaxys

Rk. von NH4CN mit Diboran, Dimethoxyethan, -80grad bis 0grad zu H3NB2H5CN*0.2 1-3/4 C4H10O2

Aftandilian et al.; Journal of the American Chemical Society; vol. 83; (1961); p. 2471,2474, View in Reaxys

Na-Salz: Teilweise Assoziation des Dampfes zu Na2(CN)2 bei 1000 K; Dimerisationswaerme.

Porter; Journal of Chemical Physics; vol. 35; (1961); p. 318,320, View in Reaxys

Rk. des na-Salzes mit Diboran<Ethylenglykoldimethylether> (<30gradC,+Dioxan) --> Na(H3BCNBH3)*( C4H8O2)2

Aftandilian et al.; Journal of the American Chemical Society; vol. 83; (1961); p. 2471,2474, View in Reaxys

NaB10H12CN*2( C2H5)2O : B. aus NaCN u. 1. Decaboran, THF, 4h; 2. Diethylether; Ausb. 80percent; IR-sp. A.,M.,M.

Aftandilian et al.; Journal of the American Chemical Society; vol. 83; (1961); p. 2471,2474, View in Reaxys

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2018-01-18 00:45:07

Rk. von NaCN mit 1. Tetraboran, Dimethoxyethan, -80grad bis Raumtemp.; 2. Dioxan zu NaB3H7CN*C4H 8O2 u. NaB2H6CN*2C4 H8O2

Aftandilian et al.; Journal of the American Chemical Society; vol. 83; (1961); p. 2471,2474, View in Reaxys

Additionelle Verb. mit Borazol B3H3N3*3HCN: Verb. ist stabil <= 115grad; Zers.= 162grad(in die Komponenten); l. in Diglym; unl. in CCl4 u. Chlf.

Dahl; Schaeffer; Journal of the American Chemical Society; vol. 83; (1961); p. 3036, View in Reaxys

Ag-Salz: Hochdruckmodifikation: Polymorpher-Uebergang; Therm. Ausdehnung; D(ξ)25: 4.05 g/ cm3; DSchmelz: 3.806 g/cm3; Schmelzkurve; Phasendiagramm

Pistorius; Journal of Inorganic and Nuclear Chemistry; vol. 19; (1961); p. 367,368, 369, View in Reaxys

Cadmium-Kaliumcyanid: Rk.: Bildet in wss. Lsg m. salzsauren wss. Lsgn. (pH 5) von Nicotin, Brucin, Strychnin, Spartein, Pilocarpin u. Emetin in W. nicht loesl. Cadmiumcyanid-Komplexe

Gode; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 252; (1961); p. 2738,2739, 2740, View in Reaxys

Kaliummanganicyanid: IR

Jones; Runciman; Proceedings of the Physical Society, London; vol. 76; (1960); p. 996, View in Reaxys

Cyanid: Anal. Best. in Zinkcyanid-Baedern

Salua; Metal Finishing; vol. 58; nb. 5; (1960); p. 59; Chem.Abstr.; vol. 54; nb. 13944; (1960), View in Reaxys

Quecksilbersalz Hg(CN)2: Kristallograph. Daten

Monier; Griffon; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 250; (1960); p. 4011, View in Reaxys

Kaliumcyanid KCN: IR-Sp. in Nujol (300-880 cm-1)

Miller et al.; Spectrochimica Acta; vol. 16; (1960); p. 135,173, View in Reaxys

Natriumcyanid NaCN: IR-Sp. in Nujol (300-880 cm-1)

Miller et al.; Spectrochimica Acta; vol. 16; (1960); p. 135,173, View in Reaxys

Hg(CN)2: Beziehung zw. Morphologie u. Kristallstruktur

Griffon; Monier; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 250; (1960); p. 1677, View in Reaxys

Quecksilber(II)cyanid Hg(CN)2:

Miller et al.; Spectrochimica Acta; vol. 16; (1960); p. 135,173, View in Reaxys

40/296

2018-01-18 00:45:07

IR-Sp. in Nujol (300-880 cm-1) Anion: Hydratisierungsentropie bei 25grad fuer unendliche Verduennung ΔS=-23e.u.

Wasil'ew et al.; Zhurnal Fizicheskoi Khimii; vol. 34; (1960); p. 1763,1765; engl. Ausgabe; p. 840, View in Reaxys

Silber-Salz: Rk. m. Thiocyan-trichlorid, CCl4 -> DichlorthiocyanS-cyanid (?)

Bacon,R.G.R.; Irwin,R.S.; Journal of the Chemical Society; (1960); p. 5079 - 5087, View in Reaxys

Hg(SCN)2: Loeslichkeit in wss. KBr; Gleichgewichtskonst. der Rk. m. NaBr: K: 2.67

Czakis; Roczniki Chemii; vol. 34; (1960); p. 729, View in Reaxys

Anion: Gibbs'sche Energie der Hydratisierung bei 25grad fuer unendliche Verduennung ΔG=-76kcal/mol

Wasil'ew et al.; Zhurnal Fizicheskoi Khimii; vol. 34; (1960); p. 1763,1765; engl. Ausgabe; p. 840, View in Reaxys

Al (I)-Cyanid CAlN: aus AlN mit Al4C3 event. im Gemisch mit Kohlenstoff, durch Erhitzen ueber 2200grad

Perieres; Ruelle; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 250; (1960); p. 547, View in Reaxys

K-Salz: Darst. eines 14C-markierten Praeparates aus 14C-haltig. BaCO3,K u. Zn-Staub (Fe, 650gradC) im NH3-Strom

Okatowa et al.; Trudy - Gosudarstvennyi Institut Prikladnoi Khimii; vol. 45; (1960); p. 45,46-51; Chem.Abstr.; nb. 3100; (1962), View in Reaxys

Quecksilbersalz Hg(CN)2*CH3OH : (aus Me.), orthorhomb. Kristalle; Dimensionen d. Elementarzelle: a= 4.12A, b= 7.58A, c= 20.30A; weitere kristallograph. Daten

Monier; Griffon; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 250; (1960); p. 4011, View in Reaxys

cyanides; Further Data see Handbook (Related structure)

Hueckel,W.; Theoretische Grundlagen der organischen Chemie, 2. Aufl., 1 Bd. <Leipzig 1934> S. 224, View in Reaxys; Hoelzl; Monatshefte fuer Chemie; vol. 51; (1929); p. 399, View in Reaxys

metal cyanides; Further Data see Handbook (Related structure)

Michael; Hibbert; Justus Liebigs Annalen der Chemie; vol. 364; (1909); p. 71,73, View in Reaxys; Nef; Justus Liebigs Annalen der Chemie; vol. 287; (1895); p. 277, View in Reaxys; Michael; Journal fuer Praktische Chemie (Leipzig); vol. <2> 68; (1903); p. 494, View in Reaxys; Hofmann; Bugge; Chemische Berichte; vol. 40; (1907); p. 1772,3759, View in Reaxys; Guillemard; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 144; (1907); p. 326, View in Reaxys; Guillemard; Bulletin de la Societe Chimique de France; vol. <4> 1; (1907); p. 530, View in Reaxys; Auger; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 145; (1907); p. 1287, View in Reaxys; Varet; Annales de Chimie (Cachan, France); vol.

41/296

2018-01-18 00:45:07

<7> 8; (1896); p. 266, View in Reaxys; Guillemard; Annales de Chimie (Cachan, France); vol. <8>14; (1908); p. 361; Bulletin de la Societe Chimique de France; vol. <3>31; (1904); p. 607, View in Reaxys; Calmels; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 99; (1884); p. 239; Bulletin de la Societe Chimique de France; vol. <2>43; (1885); p. 82, View in Reaxys; Kaufler; Pomeranz; Monatshefte fuer Chemie; vol. 22; (1901); p. 495, View in Reaxys; Nef; Justus Liebigs Annalen der Chemie; vol. 309; (1899); p. 136;; Justus Liebigs Annalen der Chemie; vol. 318; (1901); p. 6, View in Reaxys; Nef; Justus Liebigs Annalen der Chemie; vol. 270; (1892); p. 281, View in Reaxys; Wade; Journal of the Chemical Society; vol. 81; (1902); p. 1604, View in Reaxys Purification (1) Purification (method)

References

purification described

Giauque; Ruehrwein; Journal of the American Chemical Society; vol. 61; (1939); p. 2626, View in Reaxys; vol. C: MVol.D1; 15.4.2.3, page 127 - 161 ; (from Gmelin), View in Reaxys

Melting Point (20) 1 of 20

Melting Point [°C]

-13

Goethlich, Alexander P. V.; Tensfeldt, Marcus; Rothfuss, Helmut; Tauchert, Michael E.; Haap, Dagmar; Rominger, Frank; Hofmann, Peter; Organometallics; vol. 27; nb. 10; (2008); p. 2189 - 2200 ; (from Gmelin), View in Reaxys 2 of 20

Melting Point [°C]

-13.25

Coates; Davies; Journal of the Chemical Society; (1950); p. 1194,1197, View in Reaxys 3 of 20

Melting Point [°C]

-13.27

Coates; Coates; Journal of the Chemical Society; (1944); p. 80, View in Reaxys 4 of 20

Melting Point [°C]

-13.27

Coates, G. E.; Coates, J. E.; Journal of the Chemical Society; (1944); p. 77 - 81, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys 5 of 20

Melting Point [°C]

-13.3

Coates, G. E.; Coates, J. E.; Journal of the Chemical Society; (1944); p. 77 - 81, View in Reaxys; Coates, J. E.; Hartshorne, N. H.; Journal of the Chemical Society; (1931); p. 657 - 665, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199, View in Reaxys; Auer, W.; in: LandoltBoernstein Physikalisch-Chemische Tabellen, herausgegeben von W. A. Roth und K. Scheel, J. Springer, Berlin. 6. Aufl., Bd. 2, Tl. 4, 1961, S. 349, View in Reaxys; Ribaud, M. G.; Publ. Sci. Tech. Min. Air (France) Nr. 266 (1952) 119 ; (from Gmelin), View in Reaxys 6 of 20

Melting Point [°C]

-13.24

Giauque; Ruehrwein; Journal of the American Chemical Society; vol. 61; (1939); p. 2626, View in Reaxys 7 of 20

Melting Point [°C]

-13.21

Giauque; Ruehrwein; Journal of the American Chemical Society; vol. 61; (1939); p. 2626, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193, View in Reaxys; Ribaud, M. G.; Publ. Sci. Tech. Min. Air (France) Nr. 226 (1952) 119 ; (from Gmelin), View in Reaxys 8 of 20

Melting Point [°C]

-13.35

Coates; Taylor; Journal of the Chemical Society; (1936); p. 1247, View in Reaxys 9 of 20

Melting Point [°C]

-13.35

vol. C: MVol.D1; 15.6, page 186 - 193, View in Reaxys; Coates, J. E.; Taylor, E. G.; Journal of the Chemical Society; (1936); p. 1245 - 1256 ; (from Gmelin), View in Reaxys 10 of 20

Melting Point [°C]

-14.7

Lewis; Schutz; Journal of the American Chemical Society; vol. 56; (1934); p. 1002, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys 11 of 20

Melting Point [°C]

-14

Lewis; Schutz; Journal of the American Chemical Society; vol. 56; (1934); p. 1002, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys 12 of 20

Melting Point [°C]

-14.9

42/296

2018-01-18 00:45:07

Thompson; Journal of Research of the National Bureau of Standards (United States); vol. 6; (1931); p. 1052,1055; Chem. Zentralbl.; vol. 102; nb. II; (1931); p. 3460, View in Reaxys 13 of 20

Melting Point [°C]

-15.2

Perry, J. H.; Porter, F. J.; Journal of the American Chemical Society; vol. 48; (1926); p. 299 - 302, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys 14 of 20

Melting Point [°C]

-13.4

Tammann; Ann. d. Physik <N.F.>; vol. 68; (1899); p. 576, View in Reaxys; Bredig; Teichmann; Zeitschrift fuer Elektrochemie und Angewandte Physikalische Chemie; vol. 31; (1925); p. 452, View in Reaxys 15 of 20

Melting Point [°C]

-15 - -14

Tromp; Recueil des Travaux Chimiques des Pays-Bas; vol. 41; (1922); p. 285, View in Reaxys 16 of 20

Melting Point [°C]

-13.34

Lespieau; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 140; (1905); p. 855, View in Reaxys 17 of 20

Comment (Melting Point)

Schmelztemperaturen bei verschiedenen Drucken.

Tammann; Ann. d. Physik <N.F.>; vol. 68; (1899); p. 575, View in Reaxys 18 of 20

Melting Point [°C]

-12 - -10

Nef; Justus Liebigs Annalen der Chemie; vol. 287; (1895); p. 342 Anm.; Justus Liebigs Annalen der Chemie; vol. 298; (1897); p. 312, View in Reaxys 19 of 20

Melting Point [°C]

-14

Gautier; Annales de Chimie (Cachan, France); vol. <4> 17; (1869); p. 148, View in Reaxys 20 of 20

Comment (Melting Point)

Schmelzpunkt unter hohen Drucken.

Tammann,G.; Kristallisieren und Schmelzen <Leipzig 1903> S. 226, View in Reaxys Boiling Point (14) Boiling Point [°C] Pressure (Boiling Point) [Torr] 26

Location

References

supporting information

Chen, Chi-Shian; Kuo, Ting-Shen; Yeh, Wen-Yann; Chemistry - A European Journal; vol. 22; nb. 26; (2016); p. 8773 - 8776, View in Reaxys

28 - 29

Kikkawa et al.; Bulletin of the Chemical Society of Japan; vol. 50; (1977); p. 2700,2701, View in Reaxys

25.7

Coates, G. E.; Coates, J. E.; Journal of the Chemical Society; (1944); p. 77 - 81, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 193, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199, View in Reaxys; Auer, W.; in: Landolt-Boernstein PhysikalischChemische Tabellen, herausgegeben von W. A. Roth und K. Scheel, J. Springer, Berlin. 6. Aufl., Bd. 2, Tl. 4, 1961, S. 349, View in Reaxys; Edwards, D. G.; UCRL-7167 (1964) 120; N.S.A.; vol. 18; (1964); p. 41374, View in Reaxys; Edwards, D. G.; UCRL-7167 (1964) 29; N.S.A.; vol. 18; (1964); p. 41374, View in Reaxys; Coates, J. E.; Taylor, E. G.; Journal of the Chemical Society; (1936); p. 1245 - 1256 ; (from Gmelin), View in Reaxys

25.6 - 25.7

Benson, S. W.; Journal of Physical Chemistry; vol. 52; (1948); p. 1060 - 1074, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys

25.8

Benson, S. W.; Journal of Physical Chemistry; vol. 52; (1948); p. 1060 - 1074, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys

43/296

2018-01-18 00:45:07

25.64

760

Giauque; Ruehrwein; Journal of the American Chemical Society; vol. 61; (1939); p. 2626, View in Reaxys

25.65

Giauque; Ruehrwein; Journal of the American Chemical Society; vol. 61; (1939); p. 2626, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys

25.7

760

Coates; Hinkel; Angel; Journal of the Chemical Society; (1928); p. 541, View in Reaxys; Hara; Sinozaki; Technol. Rep. Tohoku Univ.; vol. 4; p. 151; Chem. Zentralbl.; vol. 96; nb. II; (1925); p. 1591, View in Reaxys; Coates; Taylor; Journal of the Chemical Society; (1936); p. 1247, View in Reaxys

25.75

760

Lowry; Henderson; Proceedings of the Royal Society of London, Series A: Mathematical, Physical and Engineering Sciences; vol. 136; (1932); p. 474, View in Reaxys

Nef; Justus Liebigs Annalen der Chemie; vol. 287; (1895); p. 342 Anm.; Justus Liebigs Annalen der Chemie; vol. 298; (1897); p. 312, View in Reaxys

Gautier; Annales de Chimie (Cachan, France); vol. <4> 17; (1869); p. 148, View in Reaxys

25.6

25.71

vol. C: MVol.D1; 15.6, page 186 - 193, View in Reaxys; Rossini; et al.; Natl. Bur. Std. (U.S.) Circ. Nr. 500 (1952) 594 ; (from Gmelin), View in Reaxys

Sublimation (1) Comment (Sublimation)

References

2200grad; unter- Perieres; Ruelle; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 250; halb dieser Temp. (1960); p. 547, View in Reaxys unbestaending Refractive Index (18) Refractive Index Wavelength (Refractive Index) [nm]

Temperature (Refractive Index) [°C]

1.264

589

Weaver; Parry; Inorganic Chemistry; vol. 5; (1966); p. 703,708, View in Reaxys

435.9 - 644

Watson; Ramaswamy; Proceedings of the Royal Society of London, Series A: Mathematical, Physical and Engineering Sciences; vol. 156; (1936); p. 150, View in Reaxys

1.3475 - 1.3916

247.3 - 495.7

Lowry; Henderson; Proceedings of the Royal Society of London, Series A: Mathematical, Physical and Engineering Sciences; vol. 136; (1932); p. 474, View in Reaxys

1.25994

670.786

Liquid

Lowry, T. M.; Henderson, S. T.; Proceedings of the Royal Society of London, Series A: Mathematical, Physical and Engineering Sciences; vol. 136; (1932); p. 471 - 487, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys

1.26136

589.593

Liquid

1.26247

546.073

Liquid

Lowry, T. M.; Henderson, S. T.; Proceedings of the Royal Society of London, Series A: Mathe-

Comment (Refractive Index)

44/296

References

2018-01-18 00:45:07

matical, Physical and Engineering Sciences; vol. 136; (1932); p. 471 - 487, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys 1.26355

508.582

Liquid

1.26522

468.014

Liquid

1.267

435.834

Liquid

1.2729 - 1.2619

589

0 - 20

Peters; Annalen der Physik (Weinheim, Germany); vol. <4> 86; (1928); p. 508, View in Reaxys

1.2661

656.3

Meyer; Hopff; Chemische Berichte; vol. 54; (1921); p. 1713,2175, View in Reaxys

1.2675

589

Meyer; Hopff; Chemische Berichte; vol. 54; (1921); p. 1713,2175, View in Reaxys

1.2713

486.1

Meyer; Hopff; Chemische Berichte; vol. 54; (1921); p. 1713,2175, View in Reaxys

1.2752

434

Meyer; Hopff; Chemische Berichte; vol. 54; (1921); p. 1713,2175, View in Reaxys

1.00077

Kanonnikow; Journal fuer Praktische Chemie (Leipzig); vol. <2> 31; (1885); p. 352, View in Reaxys

1.00045

Bleekrode; Jahresbericht ueber die Fortschritte der Chemie und Verwandter Theile Anderer Wissenschaften; (1884); p. 284, View in Reaxys

1.263

589

Bussy; Buignet; Annales de Chimie (Cachan, France); vol. <4> 3; (1864); p. 235,238, View in Reaxys

1.254

589

Bleekrode; Proceedings of the Royal Society of London; vol. 37; p. 350, View in Reaxys

Density (55) 1 of 55

Density [g·cm-3]

0.71546

Measurement Temperature [°C]

Kortuem, G.; Reber, H.; Zeitschrift fuer Elektrochemie; vol. 65; (1961); p. 809 - 812, View in Reaxys; vol. C: MVol.D1; 15.11.11.7, page 224 - 242 ; (from Gmelin), View in Reaxys 2 of 55

Density [g·cm-3]

0.71546

Measurement Temperature [°C]

Comment (Density)

Liquid

Kortuem, G.; Reber, H.; Zeitschrift fuer Elektrochemie; vol. 65; (1961); p. 809 - 812, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys 3 of 55

Density [g·cm-3]

0.195

45/296

2018-01-18 00:45:07

Measurement Temperature [°C]

183.5

Comment (Density)

critical density; 40050 Torr - 40810 Torr

Giauque; Ruehrwein; Journal of the American Chemical Society; vol. 61; (1939); p. 2626, View in Reaxys; Andrussow, L.; Zeitschrift fuer Elektrochemie; vol. 55; (1951); p. 51 - 53, View in Reaxys; Joliet, J. F.; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 252; (1961); p. 116 - 118, View in Reaxys; Lange, J.; Berga, J.; Monatshefte fuer Chemie; vol. 81; (1950); p. 921 - 938, View in Reaxys; Perry, J. H.; Porter, F. J.; Journal of the American Chemical Society; vol. 48; (1926); p. 299 - 302, View in Reaxys; Stull, D.; Industrial and Engineering Chemistry; vol. 39; (1947); p. 517 - 540, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193, View in Reaxys; Ribaud, M. G.; Publ. Sci. Tech. Min. Air (France) Nr. 226 (1952) 119, View in Reaxys; Rossini; et al.; Natl. Bur. Std. (U.S.) Circ. Nr. 500 (1952) 594, View in Reaxys; Zumwalt, L. R.; Burnette, R. D.; Riedinger, A. B.; in: Corrosion of Reactor Materials, Bd. 2, Wien 1962, S. 345/72 ; (from Gmelin), View in Reaxys 4 of 55

Density [g·cm-3]

0.67972

Measurement Temperature [°C]

Comment (Density)

Liquid; ref. temp. 4 Deg C

Coates, J. E.; Davies, R. H.; Journal of the Chemical Society; (1950); p. 1194 - 1199, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys 5 of 55

Density [g·cm-3]

0.68708

Measurement Temperature [°C]

Comment (Density)

Liquid; ref. temp. 4 Deg C

Coates, J. E.; Davies, R. H.; Journal of the Chemical Society; (1950); p. 1194 - 1199, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys 6 of 55

Density [g·cm-3]

0.69438

Measurement Temperature [°C]

Comment (Density)

Liquid; ref. temp. 4 Deg C

Coates, J. E.; Davies, R. H.; Journal of the Chemical Society; (1950); p. 1194 - 1199, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys 7 of 55

Density [g·cm-3]

0.70167

Measurement Temperature [°C]

Comment (Density)

Liquid; ref. temp. 4 Deg C

Coates, J. E.; Davies, R. H.; Journal of the Chemical Society; (1950); p. 1194 - 1199, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys 8 of 55

Density [g·cm-3]

0.70893

Measurement Temperature [°C]

Comment (Density)

Liquid; ref. temp. 4 Deg C

Coates, J. E.; Davies, R. H.; Journal of the Chemical Society; (1950); p. 1194 - 1199, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys 9 of 55

Density [g·cm-3]

0.71618

Measurement Temperature [°C]

Comment (Density)

Liquid; ref. temp. 4 Deg C

Coates, J. E.; Davies, R. H.; Journal of the Chemical Society; (1950); p. 1194 - 1199, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys 10 of 55

Density [g·cm-3]

0.72341

Measurement Temperature [°C]

-5

46/296

2018-01-18 00:45:07

Comment (Density)

Liquid; ref. temp. 4 Deg C

Coates, J. E.; Davies, R. H.; Journal of the Chemical Society; (1950); p. 1194 - 1199, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys 11 of 55

Density [g·cm-3]

0.73058

Measurement Temperature [°C]

-10

Comment (Density)

Liquid; ref. temp. 4 Deg C

Coates, J. E.; Davies, R. H.; Journal of the Chemical Society; (1950); p. 1194 - 1199, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys 12 of 55

Density [g·cm-3]

0.73521

Measurement Temperature [°C]

-13.3

Comment (Density)

Liquid; ref. temp. 4 Deg C

Coates, J. E.; Davies, R. H.; Journal of the Chemical Society; (1950); p. 1194 - 1199, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys 13 of 55

Density [g·cm-3]

0.67972 - 0.73521

Reference Temperature [°C]

Measurement Temperature [°C]

-13.3 - 25

Coates; Davies; Journal of the Chemical Society; (1950); p. 1194,1197, View in Reaxys 14 of 55

Density [g·cm-3]

0.716

Measurement Temperature [°C]

Comment (Density)

Liquid

Lange, J.; Berga, J.; Konopik, N.; Monatshefte fuer Chemie; vol. 80; (1949); p. 708 - 719, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys 15 of 55

Density [g·cm-3]

0.6809

Measurement Temperature [°C]

25.6 - 25.7

Comment (Density)

Liquid

Benson, S. W.; Journal of Physical Chemistry; vol. 52; (1948); p. 1060 - 1074, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys 16 of 55

Density [g·cm-3]

0.00119

Measurement Temperature [°C]

25.8

Comment (Density)

Gaseous

Benson, S. W.; Journal of Physical Chemistry; vol. 52; (1948); p. 1060 - 1074, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys 17 of 55

Density [g·cm-3]

0.6944

Measurement Temperature [°C]

Comment (Density)

Liquid

Gordon, A. R.; Benson, G. C.; Can. J. Res. B.; vol. 24; (1946); p. 285 - 291, View in Reaxys; vol. C: MVol.D3; 6.2.4.7.7.12, page 216 - 216 ; (from Gmelin), View in Reaxys 18 of 55

Density [g·cm-3]

0.0011615

Measurement Temperature [°C]

Comment (Density)

Gaseous; 760 Torr

47/296

2018-01-18 00:45:07

Felsing, W. A.; Drake, G. W.; Journal of the American Chemical Society; vol. 58; (1936); p. 1714 - 1717, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys 19 of 55

Density [g·cm-3]

0.0008735

Measurement Temperature [°C]

110

Comment (Density)

Gaseous; 760 Torr

Felsing, W. A.; Drake, G. W.; Journal of the American Chemical Society; vol. 58; (1936); p. 1714 - 1717, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys 20 of 55

Density [g·cm-3]

0.000988

Measurement Temperature [°C]

Comment (Density)

Gaseous; 760 Torr

Felsing, W. A.; Drake, G. W.; Journal of the American Chemical Society; vol. 58; (1936); p. 1714 - 1717, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys 21 of 55

Density [g·cm-3]

0.68998

Measurement Temperature [°C]

Comment (Density)

ref. temp. 4 Deg C

Coates, J. E.; Taylor, E. G.; Journal of the Chemical Society; (1936); p. 1250, View in Reaxys; vol. Cs: MVol.2; 32, page 166 - 167 ; (from Gmelin), View in Reaxys 22 of 55

Density [g·cm-3]

0.6899

Reference Temperature [°C]

Measurement Temperature [°C]

Coates; Taylor; Journal of the Chemical Society; (1936); p. 1247, View in Reaxys 23 of 55

Density [g·cm-3]

0.00087 - 0.00116

Reference Temperature [°C]

Measurement Temperature [°C]

30 - 110

Felsing; Drake; Journal of the American Chemical Society; vol. 58; (1936); p. 1716, View in Reaxys 24 of 55

Density [g·cm-3]

0.67312

Measurement Temperature [°C]

29.43

Comment (Density)

Liquid

Sinozaki, H.; Hara, O.; Proceedings of the Imperial Academy (Tokyo); vol. 3; (1927); p. 590 - 594; C.A.; (1928); p. 1260, View in Reaxys; Sinozaki, H.; Hara, O.; Technol. Rept. Tohoku Imp. Univ.; vol. 8; nb. 3; (1929); p. 19 - 64, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys 25 of 55

Density [g·cm-3]

0.67381

Measurement Temperature [°C]

28.93

Comment (Density)

Liquid

Density [g·cm-3]

0.67973

Measurement Temperature [°C]

Comment (Density)

Liquid

48/296

2018-01-18 00:45:07

Density [g·cm-3]

0.68723

Measurement Temperature [°C]

19.97

Comment (Density)

Liquid

Density [g·cm-3]

0.69319

Measurement Temperature [°C]

15.93

Comment (Density)

Liquid

Density [g·cm-3]

0.70192

Measurement Temperature [°C]

9.99

Comment (Density)

Liquid

Density [g·cm-3]

0.70715

Measurement Temperature [°C]

6.4

Comment (Density)

Liquid

Density [g·cm-3]

0.7092

Measurement Temperature [°C]

5.01

Comment (Density)

Liquid

Density [g·cm-3]

0.71639

Measurement Temperature [°C]

Comment (Density)

Liquid

Density [g·cm-3]

0.925

Measurement Temperature [°C]

-40

Comment (Density)

Solid

Werner, O.; Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie; vol. 4; (1929); p. 371 - 392, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys

49/296

2018-01-18 00:45:07

34 of 55

Density [g·cm-3]

0.6884 - 0.7326

Reference Temperature [°C]

Measurement Temperature [°C]

-13 - 20

Fredenhagen; Dahmlos; Zeitschrift fuer Anorganische und Allgemeine Chemie; vol. 179; (1929); p. 85, View in Reaxys 35 of 55

Density [g·cm-3]

0.6731 - 0.7164

Reference Temperature [°C]

Measurement Temperature [°C]

0 - 29.4

Sinozaki; Hara; Proceedings of the Imperial Academy (Tokyo); vol. 3; p. 593; Chem. Zentralbl.; vol. 99; nb. I; (1928); p. 1268, View in Reaxys; Sinozaki; Hara; Technol. Rep. Tohoku Univ.; vol. 8; p. 327; Chem. Zentralbl.; vol. 100; nb. II; (1929); p. 2161, View in Reaxys 36 of 55

Measurement Temperature [°C]

Comment (Density)

Density:bei Drucken zwischen 100 und 830 nm.

Sinozaki; Hara; Technol. Rep. Tohoku Univ.; vol. 8; p. 297; Chem. Zentralbl.; vol. 100; nb. II; (1929); p. 2161, View in Reaxys; Sinozaki; Hara; Proceedings of the Imperial Academy (Tokyo); vol. 3; p. 591; Chem. Zentralbl.; vol. 99; nb. I; (1928); p. 1268, View in Reaxys 37 of 55

Measurement Temperature [°C]

Comment (Density)

Density:bei Drucken zwischen 100 und 830 nm.

Measurement Temperature [°C]

Comment (Density)

Density:bei Drucken zwischen 100 und 830 nm.

Measurement Temperature [°C]

100

Comment (Density)

Density:bei Drucken zwischen 100 und 830 nm.

Measurement Temperature [°C]

189

Comment (Density)

Density:bei Drucken zwischen 100 und 830 nm.

Density [g·cm-3]

0.6874 - 0.7156

Reference Temperature [°C]

Measurement Temperature [°C]

0 - 20

Peters; Annalen der Physik (Weinheim, Germany); vol. <4> 86; (1928); p. 508, View in Reaxys 42 of 55

Density [g·cm-3]

0.6909

50/296

2018-01-18 00:45:07

Measurement Temperature [°C]

Comment (Density)

ref. temp. 4 Deg C

Bredig, G.; Shirado, M.; Zeitschrift fuer Elektrochemie; vol. 33; (1927); p. 209 - 211, View in Reaxys; vol. C: MVol.D1; 15.11.11.7, page 224 - 242 ; (from Gmelin), View in Reaxys 43 of 55

Density [g·cm-3]

0.6909

Reference Temperature [°C]

Measurement Temperature [°C]

Bredig; Shirado; Zeitschrift fuer Elektrochemie und Angewandte Physikalische Chemie; vol. 33; (1927); p. 210, View in Reaxys; Shirado; Bulletin of the Chemical Society of Japan; vol. 2; (1927); p. 123, View in Reaxys 44 of 55

Density [g·cm-3]

0.682 - 0.718

Reference Temperature [°C]

Measurement Temperature [°C]

0 - 25

Walker; Marvin; Industrial and Engineering Chemistry; vol. 18; (1926); p. 140; Chem. Zentralbl.; vol. 97; nb. I; (1926); p. 3171, View in Reaxys 45 of 55

Density [g·cm-3]

0.6936

Reference Temperature [°C]

Measurement Temperature [°C]

16.4

Enklaar; Recueil des Travaux Chimiques des Pays-Bas; vol. 42; (1923); p. 1006, View in Reaxys 46 of 55

Density [g·cm-3]

0.7208

Reference Temperature [°C]

Measurement Temperature [°C]

Tromp; Recueil des Travaux Chimiques des Pays-Bas; vol. 41; (1922); p. 285, View in Reaxys 47 of 55

Density [g·cm-3]

0.709

Reference Temperature [°C]

Measurement Temperature [°C]

Tromp; Recueil des Travaux Chimiques des Pays-Bas; vol. 41; (1922); p. 285, View in Reaxys 48 of 55

Density [g·cm-3]

0.6992

Reference Temperature [°C]

Measurement Temperature [°C]

Tromp; Recueil des Travaux Chimiques des Pays-Bas; vol. 41; (1922); p. 285, View in Reaxys 49 of 55

Density [g·cm-3]

0.968 - 0.934

Measurement Temperature [°C]

65 - 177

Usherwood; Journal of the Chemical Society; vol. 121; (1922); p. 1612, View in Reaxys 50 of 55

Density [g·cm-3]

0.7018

Reference Temperature [°C]

51/296

2018-01-18 00:45:07

Measurement Temperature [°C]

Meyer; Hopff; Chemische Berichte; vol. 54; (1921); p. 1712, View in Reaxys 51 of 55

Density [g·cm-3]

0.697

Bleekrode; Jahresbericht ueber die Fortschritte der Chemie und Verwandter Theile Anderer Wissenschaften; (1884); p. 284, View in Reaxys 52 of 55

Density [g·cm-3]

0.6969

Measurement Temperature [°C]

Gay-Lussac; Annales de Chimie (Cachan, France); vol. <1> 95; (1815); p. 145, View in Reaxys 53 of 55

Density [g·cm-3]

0.7058

Measurement Temperature [°C]

Gay-Lussac; Annales de Chimie (Cachan, France); vol. <1> 95; (1815); p. 145, View in Reaxys 54 of 55

Density [g·cm-3]

0.2

Measurement Temperature [°C]

183.5

Comment (Density)

critical density; 38000 Torr

vol. C: MVol.D1; 15.6, page 186 - 193, View in Reaxys; Ribaud, M. G.; Publ. Sci. Tech. Min. Air (France) Nr. 226 (1952) 119 ; (from Gmelin), View in Reaxys 55 of 55

Density [g·cm-3]

0.925

Reference Temperature [°C]

Measurement Temperature [°C]

-40

Werner; Ph. Ch. <B>; vol. 4; p. 380, View in Reaxys Adsorption (MCS) (132) 1 of 132

Comment (Adsorption (MCS))

sorption diagram

Partner (Adsorption (MCS))

ultradisperse detonation diamond

Koshcheev; Gorokhov; Gromov; Perov; Ott; Russian Journal of Physical Chemistry A; vol. 82; nb. 10; (2008); p. 1708 - 1714 ; (from Gmelin), View in Reaxys 2 of 132

Description (Adsorption (MCS))

Adsorption

Partner (Adsorption (MCS))

bis(tert-butylimido)bis(diethylamido)tungsten/Cu(111)

Yang, Yaw-Wen; Wu, Jin-Bao; Wang, Jelin; Lin, Yi-Feng; Chiu, Hsin-Tien; Surface Science; vol. 600; nb. 3; (2006); p. 743 - 754 ; (from Gmelin), View in Reaxys 3 of 132

Partner (Adsorption (MCS))

Ba-Y zeolite

Szanyi, János; Kwak, Ja Hun; Peden, Charles H. F.; Journal of Physical Chemistry B; vol. 109; nb. 4; (2005); p. 1481 - 1490 ; (from Gmelin), View in Reaxys 4 of 132

Partner (Adsorption (MCS))

Na-Y zeolite

Szanyi, János; Kwak, Ja Hun; Peden, Charles H. F.; Journal of Physical Chemistry B; vol. 109; nb. 4; (2005); p. 1481 - 1490 ; (from Gmelin), View in Reaxys 5 of 132

Description (Adsorption (MCS))

Adsorption

Partner (Adsorption (MCS))

Pt(111)

52/296

2018-01-18 00:45:07

Herceg, Eldad; Trenary, Michael; Journal of the American Chemical Society; vol. 125; nb. 51; (2003); p. 15758 15759, View in Reaxys; Linquist, John M.; Ziegler, John P.; Hemminger, John C.; Surface Science; vol. 210; (1989); p. 27 - 45, View in Reaxys; Herceg, Eldad; Trenary, Michael; Journal of Physical Chemistry B; vol. 109; nb. 37; (2005); p. 17560 - 17566 ; (from Gmelin), View in Reaxys 6 of 132

Partner (Adsorption (MCS))

Na2S2O8/Cr(VI)/MCM-48

Hudson, Michael J.; Jackson, Dominic B.; Ward, Jessica L.; Chinn, Matt J.; Chemical Communications; nb. 24; (2003); p. 2970 - 2971 ; (from Gmelin), View in Reaxys 7 of 132

Partner (Adsorption (MCS))

Cr(III)/MCM-48

Hudson, Michael J.; Jackson, Dominic B.; Ward, Jessica L.; Chinn, Matt J.; Chemical Communications; nb. 24; (2003); p. 2970 - 2971 ; (from Gmelin), View in Reaxys 8 of 132

Partner (Adsorption (MCS))

Na2S2O8/MCM-48

Hudson, Michael J.; Jackson, Dominic B.; Ward, Jessica L.; Chinn, Matt J.; Chemical Communications; nb. 24; (2003); p. 2970 - 2971 ; (from Gmelin), View in Reaxys 9 of 132

Partner (Adsorption (MCS))

Na2S2O8/K-100

Hudson, Michael J.; Jackson, Dominic B.; Ward, Jessica L.; Chinn, Matt J.; Chemical Communications; nb. 24; (2003); p. 2970 - 2971 ; (from Gmelin), View in Reaxys 10 of 132

Partner (Adsorption (MCS))

MCM-48

Hudson, Michael J.; Jackson, Dominic B.; Ward, Jessica L.; Chinn, Matt J.; Chemical Communications; nb. 24; (2003); p. 2970 - 2971 ; (from Gmelin), View in Reaxys 11 of 132

Partner (Adsorption (MCS))

activated carbon

Hudson, Michael J.; Jackson, Dominic B.; Ward, Jessica L.; Chinn, Matt J.; Chemical Communications; nb. 24; (2003); p. 2970 - 2971, View in Reaxys; Allmand, A. J.; Chaplin, R.; Proceedings of the Royal Society of London, Series A: Mathematical, Physical and Engineering Sciences; vol. 132; (1931); p. 460 - 479, View in Reaxys; Herbst, H.; Biochemische Zeitschrift; vol. 118; (1921); p. 103 - 119 ; (from Gmelin), View in Reaxys 12 of 132

Description (Adsorption (MCS))

Adsorption

Partner (Adsorption (MCS))

Ag/Al2O3

Bion, Nicolas; Saussey, Jacques; Haneda, Masaaki; Daturi, Marco; Journal of Catalysis; vol. 217; nb. 1; (2003); p. 47 - 58 ; (from Gmelin), View in Reaxys 13 of 132

Description (Adsorption (MCS))

Adsorption

Comment (Adsorption (MCS))

sorption diagram

Partner (Adsorption (MCS))

Bonello, Jonathan M.; Lambert, Richard M.; Surface Science; vol. 498; nb. 3; (2002); p. 212 - 228 ; (from Gmelin), View in Reaxys 14 of 132

Description (Adsorption (MCS))

Adsorption

Comment (Adsorption (MCS))

sorption diagram

Partner (Adsorption (MCS))

Pt(111)

Kang, Dae-Hyuk; Trenary, Michael; Journal of Physical Chemistry B; vol. 106; nb. 22; (2002); p. 5710 - 5718, View in Reaxys; Kang, Dae-Hyuk; Trenary, Michael; Surface Science; vol. 519; nb. 1-2; (2002); p. 40 - 56 ; (from Gmelin), View in Reaxys

53/296

2018-01-18 00:45:07

15 of 132

Comment (Adsorption (MCS))

sorption diagram

Partner (Adsorption (MCS))

ceria-supported Rh

Mullins; Zhang; Journal of Physical Chemistry B; vol. 105; nb. 7; (2001); p. 1374 - 1380 ; (from Gmelin), View in Reaxys 16 of 132

Description (Adsorption (MCS))

Adsorption

Partner (Adsorption (MCS))

Cu electrode

Fedurco, Milan; Sartoretti, Chantal Jorand; Augustynski, Jan; Journal of the Electrochemical Society; vol. 148; nb. 3; (2001); p. D19-D23 ; (from Gmelin), View in Reaxys 17 of 132

Description (Adsorption (MCS))

Adsorption

Partner (Adsorption (MCS))

γ-Al2O3

Zuzaniuk, Virginie; Meunier, Frederic C.; Ross, Julian R. H.; Journal of Catalysis; vol. 202; nb. 2; (2001); p. 340 353 ; (from Gmelin), View in Reaxys 18 of 132

Description (Adsorption (MCS))

Adsorption

Comment (Adsorption (MCS))

sorption diagram

Partner (Adsorption (MCS))

nitrobenzene/Cu(110)

Chen; Frederick; Richardson; Surface Science; vol. 436; nb. 1; (1999); p. 160 - 166 ; (from Gmelin), View in Reaxys 19 of 132

Description (Adsorption (MCS))

Adsorption

Comment (Adsorption (MCS))

sorption diagram

Partner (Adsorption (MCS))

n-azopropane/Pt(111)

Gleason; Jenks; French; Bent; Zaera; Surface Science; vol. 405; nb. 2-3; (1998); p. 238 - 260 ; (from Gmelin), View in Reaxys 20 of 132

Description (Adsorption (MCS))

Adsorption

Comment (Adsorption (MCS))

sorption diagram

Partner (Adsorption (MCS))

propionitrile/Pt(111)

Gleason; Jenks; French; Bent; Zaera; Surface Science; vol. 405; nb. 2-3; (1998); p. 238 - 260 ; (from Gmelin), View in Reaxys 21 of 132

Description (Adsorption (MCS))

Adsorption

Comment (Adsorption (MCS))

sorption diagram

Partner (Adsorption (MCS))

propyl amine/Pt(111)

Gleason; Jenks; French; Bent; Zaera; Surface Science; vol. 405; nb. 2-3; (1998); p. 238 - 260 ; (from Gmelin), View in Reaxys 22 of 132

Description (Adsorption (MCS))

Adsorption

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Partner (Adsorption (MCS))

D2O ice

Uras, Nevin; Rahman, M.; Devlin, J. P.; Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces, & Biophysical Chemistry; vol. 102; nb. 47; (1998); p. 9375 - 9377 ; (from Gmelin), View in Reaxys 23 of 132

Comment (Adsorption (MCS))

sorption diagram

Partner (Adsorption (MCS))

H/CNH2/Pt(111)

Celio; Mills; Jentz; Trenary; Surface Science; vol. 381; nb. 1; (1997); p. 65 - 76 ; (from Gmelin), View in Reaxys 24 of 132

Description (Adsorption (MCS))

Adsorption

Partner (Adsorption (MCS))

azomethane/(18)O/Rh(111)

Bol; Kovacs; Chen; Friend; Journal of Physical Chemistry B; vol. 101; nb. 33; (1997); p. 6436 - 6442 ; (from Gmelin), View in Reaxys 25 of 132

Description (Adsorption (MCS))

Adsorption

Partner (Adsorption (MCS))

azomethane/Rh(111)

Bol; Kovacs; Chen; Friend; Journal of Physical Chemistry B; vol. 101; nb. 33; (1997); p. 6436 - 6442 ; (from Gmelin), View in Reaxys 26 of 132

Description (Adsorption (MCS))

Adsorption

Partner (Adsorption (MCS))

C2H4/N/Rh(111)

van Hardeveld; van Santen; Niemantsverdriet; Journal of Physical Chemistry B; vol. 101; nb. 40; (1997); p. 7901 - 7907 ; (from Gmelin), View in Reaxys 27 of 132

Description (Adsorption (MCS))

Adsorption

Comment (Adsorption (MCS))

sorption diagram

Partner (Adsorption (MCS))

CH3NO2/Pt(111)

Saliba; Wang; Bansenauer; Koel; Surface Science; vol. 389; nb. 1-3; (1997); p. 147 - 161 ; (from Gmelin), View in Reaxys 28 of 132

Description (Adsorption (MCS))

Adsorption

Comment (Adsorption (MCS))

sorption diagram

Partner (Adsorption (MCS))

pyrrole-dosed Pd(111)

Baddeley, Christopher J.; Hardacre, Christopher; Ormerod, R. Mark; Lambert, Richard M.; Surface Science; vol. 369; nb. 1-3; (1996); p. 1 - 8 ; (from Gmelin), View in Reaxys 29 of 132

Description (Adsorption (MCS))

Adsorption

Partner (Adsorption (MCS))

CH3NH2-exposured Pt(111)

Jentz; Mills; Celio; Trenary; Surface Science; vol. 368; nb. 1-3; (1996); p. 354 - 360 ; (from Gmelin), View in Reaxys 30 of 132

Description (Adsorption (MCS))

Adsorption

Partner (Adsorption (MCS))

H2+C2N2-exposured Pt(111)

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Jentz; Mills; Celio; Trenary; Surface Science; vol. 368; nb. 1-3; (1996); p. 354 - 360 ; (from Gmelin), View in Reaxys 31 of 132

Description (Adsorption (MCS))

Adsorption

Partner (Adsorption (MCS))

azomethane-exposured Pt(111)

Jentz; Mills; Celio; Trenary; Surface Science; vol. 368; nb. 1-3; (1996); p. 354 - 360 ; (from Gmelin), View in Reaxys 32 of 132

Description (Adsorption (MCS))

Adsorption

Comment (Adsorption (MCS))

sorption diagram

Partner (Adsorption (MCS))

Pt foil

Levoguer, Carl L.; Nix, Roger M.; Journal of the Chemical Society, Faraday Transactions; vol. 92; nb. 23; (1996); p. 4799 - 4808 ; (from Gmelin), View in Reaxys 33 of 132

Description (Adsorption (MCS))

Adsorption

Comment (Adsorption (MCS))

sorption table

Partner (Adsorption (MCS))

Yang, Hong; Whitten, Jerry L.; Journal of Physical Chemistry; vol. 100; nb. 12; (1996); p. 5090 - 5097 ; (from Gmelin), View in Reaxys 34 of 132

Description (Adsorption (MCS))

Adsorption

Comment (Adsorption (MCS))

sorption diagram

Partner (Adsorption (MCS))

MeNH2-exposed Pd(111)

Chen, J. J.; Winograd, N.; Surface Science; vol. 326; (1995); p. 285 - 300 ; (from Gmelin), View in Reaxys 35 of 132

Description (Adsorption (MCS))

Adsorption

Comment (Adsorption (MCS))

sorption diagram

Partner (Adsorption (MCS))

azomethane/Pt(111)

Jentz, David; Trenary, Michael; Peng, X. D.; Stair, Peter; Surface Science; vol. 341; (1995); p. 282 - 294 ; (from Gmelin), View in Reaxys 36 of 132

Description (Adsorption (MCS))

Adsorption

Comment (Adsorption (MCS))

sorption diagram

Partner (Adsorption (MCS))

methylamine/Pt(111)

Jentz, David; Trenary, Michael; Peng, X. D.; Stair, Peter; Surface Science; vol. 341; (1995); p. 282 - 294 ; (from Gmelin), View in Reaxys 37 of 132

Partner (Adsorption (MCS))

100percent exchanged HY zeolite

Blower, Clive J.; Smith, Thomas D.; Journal of the Chemical Society, Faraday Transactions; vol. 90; nb. 6; (1994); p. 919 - 930 ; (from Gmelin), View in Reaxys 38 of 132

Partner (Adsorption (MCS))

90percent exchanged HY zeolite

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Blower, Clive J.; Smith, Thomas D.; Journal of the Chemical Society, Faraday Transactions; vol. 90; nb. 6; (1994); p. 919 - 930 ; (from Gmelin), View in Reaxys 39 of 132

Partner (Adsorption (MCS))

98percent NH4(1+) ion-exchanged Y zeolite

Blower, Clive J.; Smith, Thomas D.; Journal of the Chemical Society, Faraday Transactions; vol. 90; nb. 6; (1994); p. 919 - 930 ; (from Gmelin), View in Reaxys 40 of 132

Partner (Adsorption (MCS))

98percent exchanged HY zeolite

Blower, Clive J.; Smith, Thomas D.; Journal of the Chemical Society, Faraday Transactions; vol. 90; nb. 6; (1994); p. 919 - 930, View in Reaxys; Blower, Clive J.; Smith, Thomas D.; Journal of the Chemical Society, Faraday Transactions; vol. 90; nb. 6; (1994); p. 931 - 934 ; (from Gmelin), View in Reaxys 41 of 132

Partner (Adsorption (MCS))

Ag(1+) ion-exchanged Y zeolite

Blower, Clive J.; Smith, Thomas D.; Journal of the Chemical Society, Faraday Transactions; vol. 90; nb. 6; (1994); p. 931 - 934 ; (from Gmelin), View in Reaxys 42 of 132

Partner (Adsorption (MCS))

Cs(1+) ion-exchanged X zeolite

Blower, Clive J.; Smith, Thomas D.; Journal of the Chemical Society, Faraday Transactions; vol. 90; nb. 6; (1994); p. 931 - 934 ; (from Gmelin), View in Reaxys 43 of 132

Partner (Adsorption (MCS))

Cs(1+) ion-exchanged Y zeolite

Blower, Clive J.; Smith, Thomas D.; Journal of the Chemical Society, Faraday Transactions; vol. 90; nb. 6; (1994); p. 931 - 934 ; (from Gmelin), View in Reaxys 44 of 132

Partner (Adsorption (MCS))

K(1+) ion-exchanged X zeolite

Blower, Clive J.; Smith, Thomas D.; Journal of the Chemical Society, Faraday Transactions; vol. 90; nb. 6; (1994); p. 931 - 934 ; (from Gmelin), View in Reaxys 45 of 132

Partner (Adsorption (MCS))

K(1+) ion-exchanged Y zeolite

Blower, Clive J.; Smith, Thomas D.; Journal of the Chemical Society, Faraday Transactions; vol. 90; nb. 6; (1994); p. 931 - 934 ; (from Gmelin), View in Reaxys 46 of 132

Partner (Adsorption (MCS))

Li(1+) ion-exchanged X zeolite

Blower, Clive J.; Smith, Thomas D.; Journal of the Chemical Society, Faraday Transactions; vol. 90; nb. 6; (1994); p. 931 - 934 ; (from Gmelin), View in Reaxys 47 of 132

Partner (Adsorption (MCS))

Li(1+) ion-exchanged Y zeolite

Blower, Clive J.; Smith, Thomas D.; Journal of the Chemical Society, Faraday Transactions; vol. 90; nb. 6; (1994); p. 931 - 934 ; (from Gmelin), View in Reaxys 48 of 132

Partner (Adsorption (MCS))

Na(1+) ion-exchanged X zeolite

Blower, Clive J.; Smith, Thomas D.; Journal of the Chemical Society, Faraday Transactions; vol. 90; nb. 6; (1994); p. 931 - 934 ; (from Gmelin), View in Reaxys 49 of 132

Partner (Adsorption (MCS))

Na(1+) ion-exchanged Y zeolite

Blower, Clive J.; Smith, Thomas D.; Journal of the Chemical Society, Faraday Transactions; vol. 90; nb. 6; (1994); p. 931 - 934 ; (from Gmelin), View in Reaxys 50 of 132

Partner (Adsorption (MCS))

Ni(2+) ion-exchanged Y zeolite

Blower, Clive J.; Smith, Thomas D.; Journal of the Chemical Society, Faraday Transactions; vol. 90; nb. 6; (1994); p. 931 - 934 ; (from Gmelin), View in Reaxys 51 of 132

Partner (Adsorption (MCS))

Rb(1+) ion-exchanged X zeolite

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Blower, Clive J.; Smith, Thomas D.; Journal of the Chemical Society, Faraday Transactions; vol. 90; nb. 6; (1994); p. 931 - 934 ; (from Gmelin), View in Reaxys 52 of 132

Partner (Adsorption (MCS))

Rb(1+) ion-exchanged Y zeolite

Blower, Clive J.; Smith, Thomas D.; Journal of the Chemical Society, Faraday Transactions; vol. 90; nb. 6; (1994); p. 931 - 934 ; (from Gmelin), View in Reaxys 53 of 132

Partner (Adsorption (MCS))

protic form of L zeolite

Blower, Clive J.; Smith, Thomas D.; Journal of the Chemical Society, Faraday Transactions; vol. 90; nb. 6; (1994); p. 919 - 930 ; (from Gmelin), View in Reaxys 54 of 132

Partner (Adsorption (MCS))

protic form of X zeolite

Blower, Clive J.; Smith, Thomas D.; Journal of the Chemical Society, Faraday Transactions; vol. 90; nb. 6; (1994); p. 919 - 930 ; (from Gmelin), View in Reaxys 55 of 132

Partner (Adsorption (MCS))

protic form of ZSM-5 zeolite

Blower, Clive J.; Smith, Thomas D.; Journal of the Chemical Society, Faraday Transactions; vol. 90; nb. 6; (1994); p. 919 - 930 ; (from Gmelin), View in Reaxys 56 of 132

Partner (Adsorption (MCS))

protic form of beta zeolite

Blower, Clive J.; Smith, Thomas D.; Journal of the Chemical Society, Faraday Transactions; vol. 90; nb. 6; (1994); p. 919 - 930 ; (from Gmelin), View in Reaxys 57 of 132

Partner (Adsorption (MCS))

protic form of mordenite

Blower, Clive J.; Smith, Thomas D.; Journal of the Chemical Society, Faraday Transactions; vol. 90; nb. 6; (1994); p. 919 - 930 ; (from Gmelin), View in Reaxys 58 of 132

Description (Adsorption (MCS))

Adsorption

Partner (Adsorption (MCS))

Bu, Y.; Ma, L.; Lin, M. C.; Journal of Physical Chemistry; vol. 97; nb. 27; (1993); p. 7081 - 7087 ; (from Gmelin), View in Reaxys 59 of 132

Description (Adsorption (MCS))

Adsorption

Partner (Adsorption (MCS))

Si(111)

Bu, Y.; Ma, L.; Lin, M. C.; Journal of Physical Chemistry; vol. 97; nb. 45; (1993); p. 11797 - 11801 ; (from Gmelin), View in Reaxys 60 of 132

Comment (Adsorption (MCS))

sorption diagram; sorption equation

Partner (Adsorption (MCS))

AV-17-8 anion-exchange resin

Dzhumakaev, K. Kh.; Mai, I. I.; Makhmetov, E. Kh.; Berdibekova, M. S.; Russian Journal of Physical Chemistry (Translation of Zhurnal Fizicheskoi Khimii); vol. 66; (1992); p. 567 - 569; Zhurnal Fizicheskoi Khimii; vol. 66; (1992); p. 1076 - 1080 ; (from Gmelin), View in Reaxys 61 of 132

Description (Adsorption (MCS))

Adsorption

Partner (Adsorption (MCS))

SiO2

Dunken, H.; Hobert, H.; Z. Chem. (Leipzig); vol. 4; (1964); p. 275 - 276, View in Reaxys; Kortuem, G.; Delfs, H.; Spectrochimica Acta; vol. 20; (1964); p. 405 - 413, View in Reaxys; Mueller-Litz, W.; Hobert, H.; Z. Physik. Chem. (leipzig); vol. 236; (1967); p. 84 - 94, View in Reaxys; vol. C: MVol.D1; 15.11.8, page 213 - 224, View in Reaxys; Sokoll, Rolf; Hobert, Hartmut; Schmuck, Irmtraut; Journal of Catalysis; vol. 121; (1990); p. 153 - 164,

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View in Reaxys; Sokoll, Rolf; Hobert, Hartmut; Schmuck, Irmtraut; Journal of Catalysis; vol. 125; (1990); p. 276 284 ; (from Gmelin), View in Reaxys 62 of 132

Partner (Adsorption (MCS))

chlorinated silica

Chuiko, A. A.; Brei, V. V.; Gorlov, Yu. I.; Mischanchuk, T. B.; Journal of Applied Chemistry USSR (English Translation); vol. 62; (1989); p. 2204 - 2206; Zhurnal Prikladnoi Khimii (Sankt-Peterburg, Russian Federation); vol. 62; (1989); p. 2374 - 2376 ; (from Gmelin), View in Reaxys 63 of 132

Description (Adsorption (MCS))

Adsorption

Partner (Adsorption (MCS))

K/Pd(100)

Hemmen, R.; Kordesch, M. E.; Conrad, H.; Surface Science; vol. 211 - 212; (1989); p. 857 - 864 ; (from Gmelin), View in Reaxys 64 of 132

Description (Adsorption (MCS))

Adsorption

Comment (Adsorption (MCS))

sorption diagram

Partner (Adsorption (MCS))

Pd(111) surface

Guo, X.; Hoffman, A.; Yates, J. T. Jr.; Journal of Physical Chemistry; vol. 93; nb. 10; (1989); p. 4253 - 4258 ; (from Gmelin), View in Reaxys 65 of 132

Description (Adsorption (MCS))

Adsorption

Partner (Adsorption (MCS))

TiO2

Brookes, Beverley I.; Kemball, Charles; Leach, H. Frank; Journal of Chemical Research, Synopses; (1988); p. 170 - 171 ; (from Gmelin), View in Reaxys 66 of 132

Description (Adsorption (MCS))

Adsorption

Partner (Adsorption (MCS))

Pd(111) contg. bulk hydrogen

Guo, X.; Hoffman, A.; Yates, J. T. Jr.; Surface Science; vol. 203; (1988); p. L672 - L676 ; (from Gmelin), View in Reaxys 67 of 132

Description (Adsorption (MCS))

Adsorption

Comment (Adsorption (MCS))

sorption diagram

Partner (Adsorption (MCS))

Pt(111)- and Pt(112)-surface

Hagans, P.L.; Guo, X.; Chorkendorff, I.; Winkler, A.; Siddiqui, H.; Yates, J. T. Jr.; Surface Science; vol. 203; (1988); p. 1 - 16 ; (from Gmelin), View in Reaxys 68 of 132

Description (Adsorption (MCS))

Adsorption

Comment (Adsorption (MCS))

sorption diagram

Partner (Adsorption (MCS))

oxygen-precovered Pt(111)- and Pt(112)-surfaces

Guo, X.; Winkler, A.; Chorkendorff, I.; Hagans, P. L.; Siddiqui, H. R.; Yates, J. T. Jr.; Surface Science; vol. 203; (1988); p. 17 - 32 ; (from Gmelin), View in Reaxys 69 of 132

Description (Adsorption (MCS))

Adsorption

Comment (Adsorption (MCS))

sorption diagram

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Partner (Adsorption (MCS))

Pt(111) surface precovered with O2 or atomic O

Guo, X.; Winkler, A.; Hagans, P.L.; Yates, J.T. Jr.; Surface Science; vol. 203; (1988); p. 33 - 43 ; (from Gmelin), View in Reaxys 70 of 132

Description (Adsorption (MCS))

Adsorption

Partner (Adsorption (MCS))

Ni(111)

Hagans, P. L.; Chorkendorff, I.; Yates, J. T.; Journal of Physical Chemistry; vol. 92; nb. 2; (1988); p. 471 - 476 ; (from Gmelin), View in Reaxys 71 of 132

Description (Adsorption (MCS))

Adsorption

Partner (Adsorption (MCS))

Somers, J. S.; Kordesch, M. E.; Hemmen, R.; Lindner, Th.; Conrad, H.; Bradshaw, A. M.; Surface Science; vol. 198; (1988); p. 400 - 412, View in Reaxys; vol. C: MVol.D1; 15.11.3, page 206 - 209, View in Reaxys; vol. C: MVol.D1; 15.11.8, page 213 - 224, View in Reaxys; Anderson, J. R.; Clark, N. J.; Proc. 3-rd Intern. Congr. Catalysis, Amsterdam 1964 (1965),, Bd. 2, S. 1048/62, View in Reaxys; Anderson, J. R.; Clark, N. J.; Proc. 3-rd Intern. Congr. Catalysis, Amsterdam 1964 (1965),, Bd. 2, S. 1048/62; C.A.; vol. 63; (1965); p. 12665, View in Reaxys; Anderson, J. R.; Clark, N. J.; Proc. 3rd Intern. Congr. Catalysis, Amsterdam 1964 (1965), Vol.2, p.1048-1062, View in Reaxys; Dunken, H.; Hobert, H.; Schmidt, K.; Conf. Chem. Process. Petrol. Natur. Gas Plenary Lect., Budapest 1965 (1968), p.703/711; C.A.; vol. 70; (1969); p. 40989 ; (from Gmelin), View in Reaxys 72 of 132

Description (Adsorption (MCS))

Adsorption

Partner (Adsorption (MCS))

W(100)-(5x1)-C

Pearlstine, K. A.; Friend, C. M.; Journal of Physical Chemistry; vol. 90; nb. 18; (1986); p. 4341 - 4343, View in Reaxys; Stevens, P. A.; Madix, R. J.; Surface Science; vol. 205; (1988); p. 187 - 206 ; (from Gmelin), View in Reaxys 73 of 132

Description (Adsorption (MCS))

Adsorption

Partner (Adsorption (MCS))

Pd(111)

Kordesch, M. E.; Lindner, Th.; Somers, J.; Stenzel, W.; Conrad, H.; et al.; Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy; vol. 43; nb. 12; (1987); p. 1561 - 1566, View in Reaxys; Kordesch, M. E.; Stenzel, W.; Conrad, H.; Surface Science; vol. 205; (1988); p. 100 - 116 ; (from Gmelin), View in Reaxys 74 of 132

Description (Adsorption (MCS))

Adsorption

Partner (Adsorption (MCS))

vol. C: MVol.D1; 15.11.3, page 206 - 209, View in Reaxys; vol. C: MVol.D1; 15.11.8, page 213 - 224, View in Reaxys; Anderson, J. R.; Clark, N. J.; Proc. 3-rd Intern. Congr. Catalysis, Amsterdam 1964 (1965),, Bd. 2, S. 1048/62, View in Reaxys; Anderson, J. R.; Clark, N. J.; Proc. 3-rd Intern. Congr. Catalysis, Amsterdam 1964 (1965),, Bd. 2, S. 1048/62; C.A.; vol. 63; (1965); p. 12665, View in Reaxys; Dunken, H.; Hobert, H.; Schmidt, K.; Conf. Chem. Process. Petrol. Natur. Gas Plenary Lect., Budapest 1965 (1968), p.703/711; C.A.; vol. 70; (1969); p. 40989, View in Reaxys; Kordesch, M. E.; Feng, W.; Stenzel, W.; Weaver, M.; Conrad, H.; Journal of Electron Spectroscopy and Related Phenomena; vol. 44; (1987); p. 149 - 162 ; (from Gmelin), View in Reaxys 75 of 132

Description (Adsorption (MCS))

Adsorption

Partner (Adsorption (MCS))

pyrrole-covered Ni(100)

Schoofs, Gregory R.; Benziger, Jay B.; Surface Science; vol. 192; (1987); p. 373 - 382 ; (from Gmelin), View in Reaxys 76 of 132

Description (Adsorption (MCS))

Adsorption

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Comment (Adsorption (MCS))

sorption diagram

Partner (Adsorption (MCS))

NH2CH3-covered Pt(111)

Hwang, S. Y.; Seebauer, E. G.; Schmidt, L. D.; Surface Science; vol. 188; (1987); p. 219 - 234 ; (from Gmelin), View in Reaxys 77 of 132

Description (Adsorption (MCS))

Adsorption

Partner (Adsorption (MCS))

ZnO

Spitz, R. N.; Barton, J. E.; Barteau, M. A.; Staley, R. H.; Sleight, A. W.; Journal of Physical Chemistry; vol. 90; nb. 17; (1986); p. 4067 - 4075 ; (from Gmelin), View in Reaxys 78 of 132

Description (Adsorption (MCS))

Adsorption

Partner (Adsorption (MCS))

vol. C: MVol.D1; 15.11.3, page 206 - 209, View in Reaxys; vol. C: MVol.D1; 15.11.8, page 213 - 224, View in Reaxys; Anderson, J. R.; Clark, N. J.; Proc. 3-rd Intern. Congr. Catalysis, Amsterdam 1964 (1965),, Bd. 2, S. 1048/62, View in Reaxys; Anderson, J. R.; Clark, N. J.; Proc. 3-rd Intern. Congr. Catalysis, Amsterdam 1964 (1965),, Bd. 2, S. 1048/62; C.A.; vol. 63; (1965); p. 12665, View in Reaxys; Anderson, J. R.; Clark, N. J.; Proc. 3rd Intern. Congr. Catalysis, Amsterdam 1964 (1965), Vol.2, p.1048-1062, View in Reaxys; Dunken, H.; Hobert, H.; Schmidt, K.; Conf. Chem. Process. Petrol. Natur. Gas Plenary Lect., Budapest 1965 (1968), p.703/711; C.A.; vol. 70; (1969); p. 40989, View in Reaxys; Somers, Joseph S.; Bridge, Michael E.; Surface Science; vol. 159; (1985); p. L439 - L444 ; (from Gmelin), View in Reaxys 79 of 132

Description (Adsorption (MCS))

Adsorption

Partner (Adsorption (MCS))

Ru(001)

Shanahan, K. L.; Muetterties, E. L.; Journal of Physical Chemistry; vol. 88; nb. 10; (1984); p. 1996 - 2003 ; (from Gmelin), View in Reaxys 80 of 132

Description (Adsorption (MCS))

Adsorption

Partner (Adsorption (MCS))

Cu(111)

Solymosi, F.; Berko, A.; Surface Science; vol. 122; (1982); p. 275 - 291 ; (from Gmelin), View in Reaxys 81 of 132

Description (Adsorption (MCS))

Adsorption

Partner (Adsorption (MCS))

zeolithe X (Na9.6H1.5(Si12.9Al11.1O48)*7.9 H2O)

Seel, Fritz; Blon, Martin von; Dessauer, Andreas; Zeitschrift fuer Naturforschung, Teil B: Anorganische Chemie, Organische Chemie; vol. 37; nb. 7; (1982); p. 820 - 822 ; (from Gmelin), View in Reaxys 82 of 132

Description (Adsorption (MCS))

Adsorption

Comment (Adsorption (MCS))

sorption diagram

Partner (Adsorption (MCS))

Walker, B. W.; Stair, P. C.; Surface Science; vol. 103; (1981); p. 315 - 337 ; (from Gmelin), View in Reaxys 83 of 132

Description (Adsorption (MCS))

Adsorption

Foster; Place; Journal of the Chemical Society [Section] A: Inorganic, Physical, Theoretical; (1966); p. 556, View in Reaxys; Pospelowa et al.; Zhurnal Fizicheskoi Khimii; vol. 35; (1961); p. 298,302; engl.Ausg. S.143,146, View in Reaxys; Low et al.; Journal of Physical Chemistry; vol. 72; (1968); p. 2371, View in Reaxys; Heritage; Bergman; Pinczuk; Worlock; Chemical Physics Letters; vol. 67; nb. 2-3; (1979); p. 229 - 232, View in Reaxys; Krietenbrink; Knoezinger; Zeitschrift fuer Physikalische Chemie (Muenchen, Germany); vol. 102; (1976); p. 43,53,

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View in Reaxys; Friedman et al.; J. Appl. Chem. USSR (Engl. Transl.); vol. 38; (1965); p. 482,496, View in Reaxys; Mazur; Hipps; Journal of Physical Chemistry; vol. 83; (1979); p. 2773, View in Reaxys 84 of 132

Description (Adsorption (MCS))

Further physical properties of the adsorbed molecule

Mazur; Hipps; Journal of Physical Chemistry; vol. 83; (1979); p. 2773, View in Reaxys 85 of 132

Partner (Adsorption (MCS))

soot

Donnett, J. B.; Furstenberger, R.; Journal de Chimie Physique et de Physico-Chimie Biologique; vol. 66; (1969); p. 360 - 364 ; (from Gmelin), View in Reaxys 86 of 132

Description (Adsorption (MCS))

Adsorption

Partner (Adsorption (MCS))

Anderson, J. R.; Clark, N. J.; J. Catal.; vol. 6; (1966); p. 20 - 25, View in Reaxys; vol. C: MVol.D1; 15.11.3, page 206 - 209, View in Reaxys; vol. C: MVol.D1; 15.11.8, page 213 - 224, View in Reaxys; Anderson, J. R.; Clark, N. J.; Proc. 3-rd Intern. Congr. Catalysis, Amsterdam 1964 (1965),, Bd. 2, S. 1048/62, View in Reaxys; Anderson, J. R.; Clark, N. J.; Proc. 3-rd Intern. Congr. Catalysis, Amsterdam 1964 (1965),, Bd. 2, S. 1048/62; C.A.; vol. 63; (1965); p. 12665, View in Reaxys; Dunken, H.; Hobert, H.; Schmidt, K.; Conf. Chem. Process. Petrol. Natur. Gas Plenary Lect., Budapest 1965 (1968), p.703/711; C.A.; vol. 70; (1969); p. 40989 ; (from Gmelin), View in Reaxys 87 of 132

Partner (Adsorption (MCS))

Tuphorn, J.; Wiss. Z. Tech. Hochsch. Karl-Marx-Stadt; vol. 10; (1968); p. 239 - 243; C.A.; vol. 72; (1970); p. 25218 ; (from Gmelin), View in Reaxys 88 of 132

Description (Adsorption (MCS))

Adsorption

Partner (Adsorption (MCS))

Description (Adsorption (MCS))

Desorption

Friedman et al.; J. Appl. Chem. USSR (Engl. Transl.); vol. 38; (1965); p. 482,496, View in Reaxys 90 of 132

Description (Adsorption (MCS))

Adsorption

Partner (Adsorption (MCS))

vol. C: MVol.D1; 15.11.3, page 206 - 209, View in Reaxys; Anderson, J. R.; Clark, N. J.; Proc. 3-rd Intern. Congr. Catalysis, Amsterdam 1964 (1965),, Bd. 2, S. 1048/62, View in Reaxys; Anderson, J. R.; Clark, N. J.; Proc. 3-rd Intern. Congr. Catalysis, Amsterdam 1964 (1965),, Bd. 2, S. 1048/62; C.A.; vol. 63; (1965); p. 12665 ; (from Gmelin), View in Reaxys 91 of 132

Description (Adsorption (MCS))

Adsorption

Partner (Adsorption (MCS))

glass

Kozirovski; Folman; Transactions of the Faraday Society; vol. 60; (1964); p. 1532, View in Reaxys; vol. C: MVol.D1; 15.11.1.1, page 199 - 206 ; (from Gmelin), View in Reaxys

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93 of 132

Description (Adsorption (MCS))

Adsorption

Partner (Adsorption (MCS))

Al2O3

Kortuem, G.; Delfs, H.; Naturwissenschaften; vol. 50; (1963); p. 709, View in Reaxys; Kortuem, G.; Delfs, H.; Spectrochimica Acta; vol. 20; (1964); p. 405 - 413, View in Reaxys; vol. C: MVol.D1; 15.11.8, page 213 - 224 ; (from Gmelin), View in Reaxys 94 of 132

Description (Adsorption (MCS))

Adsorption

Partner (Adsorption (MCS))

CsCl

Kozirovsky, Y.; Folman, M.; Journal of Chemical Physics; vol. 41; (1964); p. 1509 - 1510, View in Reaxys; vol. C: MVol.D1; 15.11.8, page 213 - 224 ; (from Gmelin), View in Reaxys 95 of 132

Description (Adsorption (MCS))

Adsorption

Partner (Adsorption (MCS))

MgO

Description (Adsorption (MCS))

Adsorption

Partner (Adsorption (MCS))

NaCl

Kozirovsky, Y.; Folman, M.; Journal of Chemical Physics; vol. 41; (1964); p. 1509 - 1510, View in Reaxys; vol. C: MVol.D1; 15.11.8, page 213 - 224 ; (from Gmelin), View in Reaxys 97 of 132

Description (Adsorption (MCS))

Adsorption

Partner (Adsorption (MCS))

NaI

Kozirovsky, Y.; Folman, M.; Journal of Chemical Physics; vol. 41; (1964); p. 1509 - 1510, View in Reaxys; vol. C: MVol.D1; 15.11.8, page 213 - 224 ; (from Gmelin), View in Reaxys 98 of 132

Description (Adsorption (MCS))

Adsorption

Partner (Adsorption (MCS))

CeO2

Description (Adsorption (MCS))

Adsorption to title compound

Partner (Adsorption (MCS))

CO2

Quinchon, J.; Gerber, A.; Molinet, G.; Memorial des Poudres; vol. 43; (1961); p. 331 - 355; C. A.; vol. 57; (1962); p. 6681, View in Reaxys; Quinchon, J.; Gerber, A.; Molinet, G.; Memorial des Poudres; vol. 61; (1964); p. 2482 2482, View in Reaxys; vol. C: MVol.C1; 215, page 548 - 568 ; (from Gmelin), View in Reaxys 100 of 132 Description (Adsorption (MCS))

Adsorption

Comment (Adsorption (MCS))

Kinetik der Adsorption und Desorption aus der Gasphase.

Partner (Adsorption (MCS))

coal

Barrow et al.; Journal of the Chemical Society; (1947); p. 402, View in Reaxys; Danby et al.; Journal of the Chemical Society; (1946); p. 933, View in Reaxys

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101 of 132 Partner (Adsorption (MCS))

charcoal

Bruns, B.; Maksimova, M.; Zhurnal Fizicheskoi Khimii; vol. 4; (1933); p. 554 - 561, View in Reaxys; Barrow, R. F.; Danby, C. J.; Davoud, J. G.; Hinshelwood, C. N.; Staveley, L. A. K.; Journal of the Chemical Society; (1947); p. 401 - 416, View in Reaxys; Danby, C. J.; Davoud, J. G.; Everett, D. H.; Hinshelwood, C. N.; Lodge, R. M.; Journal of the Chemical Society; (1946); p. 918 - 934, View in Reaxys; Dubinin, M. M.; Z. Physik. Chem.; vol. 123; (1926); p. 86 - 98, View in Reaxys; vol. C: MVol.D1; 15.11.7.2, page 209 - 212, View in Reaxys; Schilow, N.; Z. Physik. Chem.; vol. 100; (1922); p. 425 - 462, View in Reaxys; Schilow, N.; Lepin, L.; Z. Physik. Chem.; vol. 94; (1920); p. 25 - 71 ; (from Gmelin), View in Reaxys 102 of 132 Description (Adsorption (MCS)) Partner (Adsorption (MCS))

Adsorption to title compound SO2

Jander, G.; Gruettner, B.; Scholz, G.; Ber.; vol. 80; (1947); p. 279 - 289, View in Reaxys; vol. S: MVol.B1; 142, page 308 - 310, View in Reaxys; Jander, G.; Die Grundlagen der Chemie in fluessigem Schwefeldioxyd in: Naturw. 26 (1938) 165/7 ; (from Gmelin), View in Reaxys 103 of 132 Description (Adsorption (MCS))

Adsorption

Temperature (Adsorption (MCS)) [°C]

Partner (Adsorption (MCS))

silica gel

Broard; Foster; Journal of the Chemical Society; (1945); p. 367,369; Journal of the Chemical Society; (1946); p. 447, View in Reaxys 104 of 132 Description (Adsorption (MCS)) Partner (Adsorption (MCS))

Adsorption zeolith

Barrer; Journal of the Society of Chemical Industry, London; vol. 64; (1945); p. 131, View in Reaxys 105 of 132 Partner (Adsorption (MCS))

coal

Dardan, D.; Popa, S.; Compt. Rend. Inst. Sci. Roumaine; vol. 3; (1939); p. 675 - 682; C.A.; (1942); p. 6695, View in Reaxys; Pewsner, S.; Z. Physik. Chem.; vol. 133; (1928); p. 122 - 128, View in Reaxys; Warburg, O.; Biochemische Zeitschrift; vol. 119; (1921); p. 134 - 166 ; (from Gmelin), View in Reaxys 106 of 132 Description (Adsorption (MCS)) Partner (Adsorption (MCS))

Adsorption charcoal

Bruns; Maximowa; Zhurnal Fizicheskoi Khimii; vol. 4; (1933); p. 554; Chem. Zentralbl.; vol. 105; nb. II; (1934); p. 3738, View in Reaxys; Chaplin; Transactions of the Faraday Society; vol. 30; (1934); p. 253, View in Reaxys; Allmand; Chaplin; Proceedings of the Royal Society of London, Series A: Mathematical, Physical and Engineering Sciences; vol. 132; (1931); p. 460, View in Reaxys; vol. C: MVol.D1; 15.11.8, page 213 - 224 ; (from Gmelin), View in Reaxys 107 of 132 Partner (Adsorption (MCS))

Ca(OH)2

Huelsenberg; Z. ang. Entomol.; vol. 14; (1929); p. 285 - 315, View in Reaxys; Asendorf, E.; Klempt, W.; Ullmann, F., Enzyklopaedie der technischen Chemie, 3. Auflage,Bd. 5, Urban + Schwarzenberg, Muenchen-Berlin 1954, S. 649/650, View in Reaxys; Williams, H. E.; The chemistry of cyanogen compounds and their manufacture and estimation, London 1915, S. 41, View in Reaxys; anonymous; Encyclopedia of Chemical Technology, Bd. 4, herausgegeben von R. E. Kirk, D. F. Othmer, The Interscience Encyclopedia, Inc., New York 1950, S. 708/712 ; (from Gmelin), View in Reaxys 108 of 132 Description (Adsorption (MCS)) Partner (Adsorption (MCS))

Adsorption asbestos

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Schwarz, L.; Deckert, W.; Z. Hyg.; vol. 107; (1927); p. 798 - 798, View in Reaxys; vol. Mg: MVol.B3; 30, page 383 385 ; (from Gmelin), View in Reaxys 109 of 132 Description (Adsorption (MCS)) Partner (Adsorption (MCS))

Adsorption water; water

Schilow; Zeitschrift fuer Physikalische Chemie, Stoechiometrie und Verwandtschaftslehre; vol. 100; (1922); p. 429, View in Reaxys; Dubinin; Zeitschrift fuer Physikalische Chemie, Stoechiometrie und Verwandtschaftslehre; vol. 123; (1926); p. 95; Zhurnal Russkago Fiziko-Khimicheskago Obshchestva; vol. 58; (1926); p. 1198, View in Reaxys; Schilow; Lepin; Zeitschrift fuer Physikalische Chemie, Stoechiometrie und Verwandtschaftslehre; vol. 94; (1920); p. 44, View in Reaxys; Dubinin; Zhurnal Russkago Fiziko-Khimicheskago Obshchestva; vol. 58; (1926); p. 1196, View in Reaxys 110 of 132

Description (Adsorption (MCS))

Adsorption

Partner (Adsorption (MCS))

blood coal

Warburg; Biochemische Zeitschrift; vol. 119; (1921); p. 158, View in Reaxys; Warburg; Biochemische Zeitschrift; vol. 165; (1925); p. 196, View in Reaxys 111 of 132

Description (Adsorption (MCS))

Adsorption

Partner (Adsorption (MCS))

Na2CO3

Bichowsky, F. V.; Industrial and Engineering Chemistry; vol. 17; (1925); p. 959 - 960, View in Reaxys; vol. C: MVol.D1; 15.11.8, page 213 - 224 ; (from Gmelin), View in Reaxys 112 of 132

Description (Adsorption (MCS))

Adsorption

Partner (Adsorption (MCS))

active coal

Warburg; Biochemische Zeitschrift; vol. 136; (1923); p. 273, View in Reaxys; Herbst; Biochemische Zeitschrift; vol. 118; (1921); p. 111, View in Reaxys 113 of 132

Description (Adsorption (MCS))

Adsorption

Partner (Adsorption (MCS))

water; water

Warburg; Biochemische Zeitschrift; vol. 136; (1923); p. 273, View in Reaxys; Herbst; Biochemische Zeitschrift; vol. 118; (1921); p. 111, View in Reaxys 114 of 132

Description (Adsorption (MCS))

Adsorption

Partner (Adsorption (MCS))

sugar-coal

Warburg; Biochemische Zeitschrift; vol. 136; (1923); p. 273, View in Reaxys 115 of 132

Partner (Adsorption (MCS))

blood coal

Warburg, O.; Biochemische Zeitschrift; vol. 119; (1921); p. 134 - 166, View in Reaxys; vol. C: MVol.D1; 15.11.7.2, page 209 - 212 ; (from Gmelin), View in Reaxys 116 of 132

Partner (Adsorption (MCS))

sugar coal

Warburg, O.; Biochemische Zeitschrift; vol. 119; (1921); p. 134 - 166, View in Reaxys; vol. C: MVol.D1; 15.11.7.2, page 209 - 212 ; (from Gmelin), View in Reaxys 117 of 132

Description (Adsorption (MCS))

Adsorption

Comment (Adsorption (MCS))

Adsorption aus Gasen.

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Partner (Adsorption (MCS))

paraffin

Czapski; Fresenius' Zeitschrift fuer Analytische Chemie; vol. 59; (1920); p. 80, View in Reaxys 118 of 132

Partner (Adsorption (MCS))

paraffine

Czapski; Fresenius' Zeitschrift fuer Analytische Chemie; vol. 59; (1920); p. 80 ; (from Gmelin), View in Reaxys 119 of 132

Description (Adsorption (MCS))

Adsorption to title compound

Partner (Adsorption (MCS))

HCl contained CuCl-solution

Rabaut, C.; Bull. Soc. Chim. France (3); vol. 19; (1898); p. 785 - 788, View in Reaxys; vol. C: MVol.D1; 15.11.11.7, page 224 - 242 ; (from Gmelin), View in Reaxys 120 of 132 Description (Adsorption (MCS)) Partner (Adsorption (MCS))

Adsorption to title compound HCl gaseous

Pinner, A.; Klein, F.; Ber. Dtsch. Chem. Ges.; vol. 11; (1878); p. 1475 - 1487, View in Reaxys; vol. C: MVol.D1; 15.11.11.7, page 224 - 242 ; (from Gmelin), View in Reaxys 121 of 132 Description (Adsorption (MCS)) Partner (Adsorption (MCS))

Adsorption SeO2

Ditte, A.; Ann. Chim. Phys.; vol. 10; (1877); p. 92 - 92, View in Reaxys; Ditte, A.; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 83; (1876); p. 225 - 225, View in Reaxys; vol. Se: MVol.B; 18, page 34 - 36 ; (from Gmelin), View in Reaxys 122 of 132 Partner (Adsorption (MCS))

Saran-carbon

Dacey, J. R.; Cadenhead, D. A.; Proc. 4th Conf. Carbon, Buffalo 1959 (1960), p.9/15 ; (from Gmelin), View in Reaxys 123 of 132 Partner (Adsorption (MCS))

silicagel

Foster, A. G.; Batchelor; laut D. N. Broad, A. G. Foster J. Chem. Soc. 1945 366/71, 369 ; (from Gmelin), View in Reaxys 124 of 132 Description (Adsorption (MCS)) Partner (Adsorption (MCS))

Adsorption Ge

vol. C: MVol.D1; 15.11.8, page 213 - 224 ; (from Gmelin), View in Reaxys 125 of 132 Description (Adsorption (MCS)) Partner (Adsorption (MCS))

Adsorption Saran-carbon

vol. C: MVol.D1; 15.11.8, page 213 - 224 ; (from Gmelin), View in Reaxys 126 of 132 Description (Adsorption (MCS)) Partner (Adsorption (MCS))

Adsorption activated carbon

vol. C: MVol.D1; 15.11.8, page 213 - 224 ; (from Gmelin), View in Reaxys 127 of 132 Description (Adsorption (MCS)) Partner (Adsorption (MCS))

Adsorption coal

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vol. C: MVol.D1; 15.11.8, page 213 - 224 ; (from Gmelin), View in Reaxys 128 of 132 Description (Adsorption (MCS)) Partner (Adsorption (MCS))

Adsorption glass

vol. C: MVol.D1; 15.11.8, page 213 - 224, View in Reaxys; Anderson, J. R.; Clark, N. J.; Proc. 3rd Intern. Congr. Catalysis, Amsterdam 1964 (1965), Vol.2, p.1048-1062 ; (from Gmelin), View in Reaxys 129 of 132 Description (Adsorption (MCS)) Partner (Adsorption (MCS))

Adsorption paraffine

vol. C: MVol.D1; 15.11.8, page 213 - 224 ; (from Gmelin), View in Reaxys 130 of 132 Description (Adsorption (MCS)) Partner (Adsorption (MCS))

Adsorption silicagel

vol. C: MVol.D1; 15.11.8, page 213 - 224 ; (from Gmelin), View in Reaxys 131 of 132 Description (Adsorption (MCS)) Partner (Adsorption (MCS))

Adsorption soot

vol. C: MVol.D1; 15.11.8, page 213 - 224 ; (from Gmelin), View in Reaxys 132 of 132 Description (Adsorption (MCS)) Partner (Adsorption (MCS))

Adsorption Ca(OH)2

vol. Ca: MVol.B1; 77, page 173 - 175 ; (from Gmelin), View in Reaxys Association (MCS) (30) 1 of 30

Description (Association IR spectrum of the complex (MCS)) Solvent (Association (MCS))

solid Ar

Partner (Association (MCS))

acetylene

Nakata, Munetaka; Bulletin of the Chemical Society of Japan; vol. 75; nb. 6; (2002); p. 1173 - 1189, View in Reaxys 2 of 30

Description (Association IR spectrum of the complex (MCS)) Solvent (Association (MCS))

various solvent(s)

Partner (Association (MCS))

propiolonitrile; pyridine; acetylene

Hore, Nathan R.; Russell, Douglas K.; Journal of the Chemical Society. Perkin Transactions 2; nb. 2; (1998); p. 269 - 275, View in Reaxys 3 of 30

Description (Association IR spectrum of the complex (MCS)) Solvent (Association (MCS))

solid matrix

Partner (Association (MCS))

methyleneamine; 2-azidoacetic acid; carbon dioxide

Dyke; Groves; Morris; Ogden; Dias; Oliveira; Costa; Barros; Cabral; Moutinho; Journal of the American Chemical Society; vol. 119; nb. 29; (1997); p. 6883 - 6887, View in Reaxys

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4 of 30

Description (Association Further physical properties of the complex (MCS)) Solvent (Association (MCS))

gas

Partner (Association (MCS))

McIntosh; Gallegos; Lucchese; Bevan; Journal of Molecular Structure; vol. 413-414; (1997); p. 167 - 173, View in Reaxys 5 of 30

Description (Association Further physical properties of the complex (MCS)) Pressure (Association (MCS)) [Torr]

760

Partner (Association (MCS))

trifluoromethan

Goodwin, Elizabeth J.; Legon, A.C.; Journal of Chemical Physics; vol. 84; nb. 4; (1986); p. 1988 - 1995, View in Reaxys 6 of 30

Description (Association Further physical properties of the complex (MCS)) Pressure (Association (MCS)) [Torr]

760

Partner (Association (MCS))

deuterofluoroform

Goodwin, Elizabeth J.; Legon, A.C.; Journal of Chemical Physics; vol. 84; nb. 4; (1986); p. 1988 - 1995, View in Reaxys 7 of 30

Description (Association Stability constant of the complex with ... (MCS)) Solvent (Association (MCS))

gas

Pressure (Association (MCS)) [Torr]

0.5 - 1.5

Partner (Association (MCS))

C2(2)H3N*H(1+)

Speller, Carlos V.; Meot-Ner (Mautner), Michael; Journal of Physical Chemistry; vol. 89; nb. 24; (1985); p. 5217 5222, View in Reaxys 8 of 30

Description (Association Stability constant of the complex with ... (MCS)) Solvent (Association (MCS))

gas

Pressure (Association (MCS)) [Torr]

0.5 - 1.5

Partner (Association (MCS))

C4H7N*H(1+)

Speller, Carlos V.; Meot-Ner (Mautner), Michael; Journal of Physical Chemistry; vol. 89; nb. 24; (1985); p. 5217 5222, View in Reaxys 9 of 30

Description (Association Stability constant of the complex with ... (MCS)) Solvent (Association (MCS))

gas

Pressure (Association (MCS)) [Torr]

0.5 - 1.5

Partner (Association (MCS))

C3HN*H(1+)

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Speller, Carlos V.; Meot-Ner (Mautner), Michael; Journal of Physical Chemistry; vol. 89; nb. 24; (1985); p. 5217 5222, View in Reaxys 10 of 30

Description (Association Stability constant of the complex with ... (MCS)) Solvent (Association (MCS))

gas

Pressure (Association (MCS)) [Torr]

0.5 - 1.5

Partner (Association (MCS))

methylammonium cation

Speller, Carlos V.; Meot-Ner (Mautner), Michael; Journal of Physical Chemistry; vol. 89; nb. 24; (1985); p. 5217 5222, View in Reaxys 11 of 30

Description (Association Stability constant of the complex with ... (MCS)) Solvent (Association (MCS))

gas

Pressure (Association (MCS)) [Torr]

0.5 - 1.5

Partner (Association (MCS))

trimethylammonium

Speller, Carlos V.; Meot-Ner (Mautner), Michael; Journal of Physical Chemistry; vol. 89; nb. 24; (1985); p. 5217 5222, View in Reaxys 12 of 30

Description (Association Stability constant of the complex with ... (MCS)) Solvent (Association (MCS))

gas

Pressure (Association (MCS)) [Torr]

0.5 - 1.5

Partner (Association (MCS))

tri(n-propyl)amine-H+

Speller, Carlos V.; Meot-Ner (Mautner), Michael; Journal of Physical Chemistry; vol. 89; nb. 24; (1985); p. 5217 5222, View in Reaxys 13 of 30

Description (Association Stability constant of the complex with ... (MCS)) Solvent (Association (MCS))

gas

Pressure (Association (MCS)) [Torr]

0.5 - 1.5

Partner (Association (MCS))

methoxonium ion

Speller, Carlos V.; Meot-Ner (Mautner), Michael; Journal of Physical Chemistry; vol. 89; nb. 24; (1985); p. 5217 5222, View in Reaxys 14 of 30

Description (Association Stability constant of the complex with ... (MCS)) Solvent (Association (MCS))

gas

Pressure (Association (MCS)) [Torr]

0.5 - 1.5

Partner (Association (MCS))

Ethylidene-oxonium

Speller, Carlos V.; Meot-Ner (Mautner), Michael; Journal of Physical Chemistry; vol. 89; nb. 24; (1985); p. 5217 5222, View in Reaxys

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15 of 30

Description (Association Stability constant of the complex with ... (MCS)) Solvent (Association (MCS))

gas

Pressure (Association (MCS)) [Torr]

0.5 - 1.5

Partner (Association (MCS))

1-hydroxy-1-methyl-ethylium

Speller, Carlos V.; Meot-Ner (Mautner), Michael; Journal of Physical Chemistry; vol. 89; nb. 24; (1985); p. 5217 5222, View in Reaxys 16 of 30

Description (Association Stability constant of the complex with ... (MCS)) Solvent (Association (MCS))

gas

Pressure (Association (MCS)) [Torr]

0.5 - 1.5

Partner (Association (MCS))

hydroxydicyclopropylmethylium ion

Speller, Carlos V.; Meot-Ner (Mautner), Michael; Journal of Physical Chemistry; vol. 89; nb. 24; (1985); p. 5217 5222, View in Reaxys 17 of 30

Description (Association Stability constant of the complex with ... (MCS)) Solvent (Association (MCS))

gas

Pressure (Association (MCS)) [Torr]

0.5 - 1.5

Partner (Association (MCS))

N,N-dimethylacetimidic acid

Speller, Carlos V.; Meot-Ner (Mautner), Michael; Journal of Physical Chemistry; vol. 89; nb. 24; (1985); p. 5217 5222, View in Reaxys 18 of 30

Description (Association Association with compound (MCS)) Solvent (Association (MCS))

various solvent(s)

Temperature (Association (MCS)) [°C]

-259.2

Partner (Association (MCS))

cyclopropane

Truscott, Candace E.; Ault, Bruce S.; Journal of Physical Chemistry; vol. 88; nb. 11; (1984); p. 2323 - 2329, View in Reaxys 19 of 30

Description (Association Further physical properties of the complex (MCS)) Partner (Association (MCS))

carbon dioxide

Leopold, K. R.; Fraser, G. T.; Klemperer, W.; Journal of Chemical Physics; vol. 80; nb. 3; (1984); p. 1039 - 1046, View in Reaxys 20 of 30

Description (Association IR spectrum of the complex (MCS)) Solvent (Association (MCS))

solid matrix

Partner (Association (MCS))

acetonitrile

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Knoezinger, Erich; Wittenbeck, Ruediger; Journal of Chemical Physics; vol. 80; nb. 12; (1984); p. 5979 - 5982, View in Reaxys 21 of 30

Description (Association IR spectrum of the complex (MCS)) Solvent (Association (MCS))

gaseous matrix

Temperature (Association (MCS)) [°C]

-196.1

Partner (Association (MCS))

triethylamine

Kanesaka, Isao; Kiyokawa, Yoshinobu; Kawai, Kiyoyasu; Journal of Chemical Physics; vol. 80; nb. 8; (1984); p. 3918 - 3919, View in Reaxys 22 of 30

Description (Association Further physical properties of the complex (MCS)) Solvent (Association (MCS))

gaseous matrix

Partner (Association (MCS))

acetylene

Aldrich, P. D.; Kukolich, S. G.; Campbell, E. J.; Journal of Chemical Physics; vol. 78; nb. 6; (1983); p. 3521 3530, View in Reaxys 23 of 30

Description (Association Further physical properties of the complex (MCS)) Solvent (Association (MCS))

gaseous matrix

Partner (Association (MCS))

ethene

Aldrich, P. D.; Kukolich, S. G.; Campbell, E. J.; Journal of Chemical Physics; vol. 78; nb. 6; (1983); p. 3521 3530, View in Reaxys 24 of 30

Description (Association IR spectrum of the complex (MCS)) Partner (Association (MCS))

benzonitrile

Pacansky, J.; Coufal, H.; Journal of Physical Chemistry; vol. 84; nb. 24; (1980); p. 3238 - 3242, View in Reaxys 25 of 30

Description (Association Stability constant of the complex with ... (MCS)) Kappenstein; Huget; Journal of Inorganic and Nuclear Chemistry; vol. 36; (1974); p. 1821, View in Reaxys; Dautet; Guillaumont; Radiochemical and Radioanalytical Letters; vol. 8; (1971); p. 175, View in Reaxys

26 of 30

Description (Association Spectrum of the complex (MCS)) Kappenstein; Huget; Journal of Inorganic and Nuclear Chemistry; vol. 36; (1974); p. 1821, View in Reaxys

27 of 30

Description (Association Association with compound (MCS)) Perelygin; Klimchuk; Doklady Physical Chemistry; vol. 206; (1972); p. 790; ; p. 395, View in Reaxys; Thomas; Proceedings of the Royal Society of London, Series A: Mathematical, Physical and Engineering Sciences; vol. 325; (1971); p. 133, View in Reaxys

28 of 30

Description (Association Further physical properties of the complex (MCS)) Simpson; Journal of the American Chemical Society; vol. 83; (1961); p. 4711,4712, View in Reaxys

29 of 30

Description (Association self-association (MCS)) Giauque; Ruehrwein; Journal of the American Chemical Society; vol. 61; (1939); p. 2626, View in Reaxys; Cole; Journal of the American Chemical Society; vol. 77; (1955); p. 2012, View in Reaxys; Benson, S. W.; Journal of Physical Chemistry; vol. 52; (1948); p. 1060 - 1074, View in Reaxys; Branne, H.; Linke, R.; Zeitschrift fuer Physika-

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lische Chemie, Abteilung A: Chemische Thermodynamik, Kinetik, Elektrochemie, Eigenschaftslehre; vol. 148; (1930); p. 195 - 215, View in Reaxys; Chuyo, K.; Bulletin of the Chemical Society of Japan; vol. 30; (1957); p. 782 789, View in Reaxys; Chuyo, K.; Bulletin of the Chemical Society of Japan; vol. 30; (1957); p. 851 - 856, View in Reaxys; Chuyo, K.; Kolloid-Zeitschrift; vol. 131; (1953); p. 40 - 41, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193, View in Reaxys; Pauling, L.; Die Natur der chemischen Bindung, Weinheim/Bergstr. 1962, S. 425/6 ; (from Gmelin), View in Reaxys 30 of 30

Description (Association Enthalpy of association (MCS)) Comment (Association (MCS))

von fluessigem Cyanwasserstoff.

Cole; Journal of the American Chemical Society; vol. 77; (1955); p. 2012, View in Reaxys Azeotropes (MCS) (2) 1 of 2

Azeotropes

ethyl nitrate

Lecat,M.; Tables azeotropiques, 2. Aufl. <Bruessel 1949> S. 255, View in Reaxys 2 of 2

Azeotropes

methyl formate

Lecat,M.; Tables azeotropiques, 2. Aufl. <Bruessel 1949> S. 255, View in Reaxys Conformation (2) Object of Investi- Comment (Congation formation) Conformation

Conformation

References Hummel, D.; Janssen, O.; Zeitschrift fuer Physikalische Chemie (Muenchen); vol. 31; (1962); p. 111 - 139, View in Reaxys; Koenig, H.; Allgem. Prakt. Chem.; vol. 20; (1969); p. 66 - 68, View in Reaxys; Kurabayashi, M.; Yanagiya, K.; Yasumoto, M.; Kamakura, T.; Kogyo Kagaku Zasshi; vol. 70; (1967); p. 1106 - 1111, View in Reaxys; Kurabayashi, M.; Yanagiya, K.; Yasumoto, M.; Kamakura, T.; Tokyo Kogyo Shikensho Hokoku; vol. 64; (1969); p. 57 - 67, View in Reaxys; Oster, G.; Kirkwood, J. G.; Journal of Chemical Physics; vol. 11; (1943); p. 175 - 178, View in Reaxys; Ruske, W.; Ruske, E.; Chemische Berichte; vol. 91; (1958); p. 2496 - 2504, View in Reaxys; Ruske, W.; Wiss. Z. Humboldt-Univ. Berlin Math. Naturw. Reihe; vol. 8; (1958); p. 557 - 572, View in Reaxys; Voelker, T.; Angewandte Chemie; vol. 69; (1957); p. 728 - 729, View in Reaxys; Voelker, T.; Angewandte Chemie; vol. 72; (1960); p. 379 - 384, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193, View in Reaxys; vol. C: MVol.D1; 18.3, page 252 - 255, View in Reaxys; Gussoni, M.; Castiglioni, C.; Zerbi, G.; Journal of Molecular Structure; vol. 138; (1986); p. 203 - 212, View in Reaxys; Ruske, W.; Becker, M.; Jahns, H. J.; Z. Chem. (Leipzig); vol. 1; (1961); p. 271 - 274 ; (from Gmelin), View in Reaxys

Das HCN-Molekuel ist im Grundzustand nach spektroskopischen Befunden linear.

Badger; Binder; Physical Review; vol. <2> 37; (1931); p. 800, View in Reaxys; Choi; Barker; Physical Review; vol. <2> 42; (1932); p. 777, View in Reaxys; Herzberg,G.; Molecular Spectra and Molecular Structure, Bd. II <New York 1945> S. 279, View in Reaxys

Critical Density (3) Critical Density References [g·cm-3] 0.195

Laptev, V. I.; Russian Journal of Physical Chemistry; vol. 68; nb. 6; (1994); p. 904 - 907; Zhurnal Fizicheskoi Khimii; vol. 68; nb. 6; (1994); p. 1004 - 1007 ; (from Gmelin), View in Reaxys

0.239

Laptev, V. I.; Russian Journal of Physical Chemistry; vol. 68; nb. 6; (1994); p. 904 - 907; Zhurnal Fizicheskoi Khimii; vol. 68; nb. 6; (1994); p. 1004 - 1007 ; (from Gmelin), View in Reaxys

0.195

Bredig; Teichmann; Zeitschrift fuer Elektrochemie und Angewandte Physikalische Chemie; vol. 31; (1925); p. 452, View in Reaxys

Critical Pressure (5) Critical Pressure References [Torr] 37156

vol. C: MVol.D1; 15.6, page 186 - 193, View in Reaxys; Edwards, D. E.; UCRL-7167 (1964) 118; N.S.A.; vol. 18; (1964); p. 41374, View in Reaxys; Edwards, D. E.; UCRL-7167 (1964) 29 ; (from Gmelin), View in Reaxys

38000

Peters; Annalen der Physik (Weinheim, Germany); vol. <4> 86; (1928); p. 508, View in Reaxys; Lewis; Schutz; Journal of the American Chemical Society; vol. 56; (1934); p. 1002, View in Reaxys; Bredig, G.; Teichmann, L.; Zeitschrift fuer Elektrochemie; vol. 31; (1925); p. 449 - 453, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys

72/296

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40452.9

Bredig; Teichmann; Zeitschrift fuer Elektrochemie und Angewandte Physikalische Chemie; vol. 31; (1925); p. 452, View in Reaxys

40430

Bredig, G.; Teichmann, L.; Zeitschrift fuer Elektrochemie; vol. 31; (1925); p. 449 - 453, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys

39500

Partington, J. R.; Carroll, M. F.; Philosophical Magazine (1798-1977); vol. 49; (1925); p. 665 - 680, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys

Critical Temperature (4) Critical Tempera- References ture [°C] 183.5

Lewis; Schutz; Journal of the American Chemical Society; vol. 56; (1934); p. 1002, View in Reaxys; Bredig, G.; Teichmann, L.; Zeitschrift fuer Elektrochemie; vol. 31; (1925); p. 449 - 453, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199, View in Reaxys; Edwards, D. E.; UCRL-7167 (1964) 118; N.S.A.; vol. 18; (1964); p. 41374, View in Reaxys; Edwards, D. E.; UCRL-7167 (1964) 29, View in Reaxys; Edwards, D. G.; UCRL-7167 (1964) 120; N.S.A.; vol. 18; (1964); p. 41374 ; (from Gmelin), View in Reaxys

181.5

Peters; Annalen der Physik (Weinheim, Germany); vol. <4> 86; (1928); p. 508, View in Reaxys

183.5

Bredig; Teichmann; Zeitschrift fuer Elektrochemie und Angewandte Physikalische Chemie; vol. 31; (1925); p. 452, View in Reaxys

191

Partington, J. R.; Carroll, M. F.; Philosophical Magazine (1798-1977); vol. 49; (1925); p. 665 - 680, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys

Cross-Sections (4) Description Comment (Cross- References (Cross-Sections) Sections) Ionization crosssection

Lee, L. C.; Journal of Chemical Physics; vol. 72; nb. 12; (1980); p. 6414 - 6421, View in Reaxys

Collision crosssection

Green; Journal of Chemical Physics; vol. 62; (1975); p. 3568, View in Reaxys

Ionization crosssection

(75-V-Elektronen).

Otvos; Stevenson; Journal of the American Chemical Society; vol. 78; (1956); p. 546,548, View in Reaxys

Collision crosssection

MolekueldurchBraune; Linke; Zeitschrift fuer Physikalische Chemie, Abteilung A: Chemische Thermomesser (gaskine- dynamik, Kinetik, Elektrochemie, Eigenschaftslehre; vol. 148; (1930); p. 207, tisch aus der inView in Reaxys neren Reibung ermittelt).

Crystal Phase (9) Description (Crys- Comment (Crystal References tal Phase) Phase) Crystal habit

Murrell et al.; Molecular Physics; vol. 35; (1978); p. 1325,1327, View in Reaxys

Crystal structure determination

Pistorius; Journal of Physics and Chemistry of Solids; vol. 32; (1971); p. 2761, View in Reaxys

Crystal structure determination

Baglin et al.; Molecular Crystals and Liquid Crystals (1969-1991); vol. 10; (1970); p. 47, View in Reaxys

Structure of the solid

Hoffman; Hornig; Journal of Chemical Physics; vol. 17; (1949); p. 1163, View in Reaxys; Baglin, F. G.; Coulter, G. L.; Durig, J. R.; Mol. Cryst. Liquid Cryst.; vol. 10; (1970); p. 47 - 60, View in Reaxys; Pezolet, M.; Savoie, R.; Canadian Journal of Chemistry; vol. 47; (1969); p. 3041 - 3048, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193, View in Reaxys; Hornig, D. F.; Discussions Faraday Soc. Nr. 9 (1950) 115/24 ; (from Gmelin), View in Reaxys

Solid state structure properties

Lurie; Journal of Chemical Physics; vol. 46; (1967); p. 352,356, View in Reaxys

Crystal structure determination

a=4.13 Angstroem, b=4.85 Angstroem, c=4.34 Angstroem, n=2.; (aus dem Roentgen-Diagramm)

Dulmage; Lipscomb; Acta Crystallographica; vol. 4; (1951); p. 330, View in Reaxys

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der Tieftemp.Modifikation (best. <-102.8grad). Crystal structure determination

a=4.63 Angstroem, c=4.34 Angstroem, n=2.; (aus dem Roentgen-Diagramm) bestaendig von -102.8grad bis -13.3grad.

Dulmage; Lipscomb; Acta Crystallographica; vol. 4; (1951); p. 330, View in Reaxys

Crystal habit

Orthorhomischer HCN ist stark pyroelektrisch.

Dulmage; Lipscomb; Acta Crystallographica; vol. 4; (1951); p. 330, View in Reaxys

Single Crystal Xray Diffraction

Dulmage, W. J.; Lipscomb, W. N.; Acta Crystallographica; vol. 4; (1951); p. 330 - 334, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys

Crystal Property Description (15) Colour & Other Point group Properties

Comment (Crystal References Property Description)

Coov

DeFrees, Douglas J.; Radhavachari, Krishnan; Schlegel, H. Bernhard; Pople, John A.; Journal of the American Chemical Society; vol. 104; nb. 21; (1982); p. 5576 - 5580, View in Reaxys; Smith, Scott F.; Chandrasekhar, Jayaraman; Jorgensen, William L.; Journal of Physical Chemistry; vol. 86; nb. 17; (1982); p. 3308 3318, View in Reaxys; vol. C: MVol.D1; 15.4.26, page 162 - 167, View in Reaxys; Herzberg, G.; Molecular Spectra and Molecular Structure II. Infrared and Raman Spectra of Polyatomic Molecules, Toronto - New York - London 1945,S. 279, View in Reaxys; Herzberg, G.; Molecular Spectra and Molecular Structure II. Infrared and Raman Spectra of Polyatomic Molecules, Toronto - New York - London 1945,S. 384, View in Reaxys; Herzberg, G.; Molecular Spectra and Molecular Structure III. Electronic Spectra and Electronic Structure of Polyatomic Molecules, Princeton - Toronto - New York - London 1966, S. 588 ; (from Gmelin), View in Reaxys

blackish brown

brown

Koenig, H.; Allgem. Prakt. Chem.; vol. 20; (1969); p. 66 - 68, View in Reaxys; vol. C: MVol.D1; 18.3, page 252 - 255 ; (from Gmelin), View in Reaxys formic acid

brownish black

Hummel, D.; Janssen, O.; Zeitschrift fuer Physikalische Chemie (Muenchen); vol. 31; (1962); p. 111 - 139, View in Reaxys; vol. C: MVol.D1; 18.3, page 252 - 255 ; (from Gmelin), View in Reaxys Hummel, D.; Janssen, O.; Zeitschrift fuer Physikalische Chemie (Muenchen); vol. 31; (1962); p. 111 - 139, View in Reaxys; Voelker, T.; Angewandte Chemie; vol. 72; (1960); p. 379 - 384, View in Reaxys; vol. C: MVol.D1; 18.3, page 252 - 255 ; (from Gmelin), View in Reaxys

dark brown

acetic acid

Hummel, D.; Janssen, O.; Zeitschrift fuer Physikalische Chemie (Muenchen); vol. 31; (1962); p. 111 - 139, View in Reaxys; vol. C: MVol.D1; 18.3, page 252 - 255 ; (from Gmelin), View in Reaxys

dark brown

dimethylformamide

Hummel, D.; Janssen, O.; Zeitschrift fuer Physikalische Chemie (Muenchen); vol. 31; (1962); p. 111 - 139, View in Reaxys; vol. C: MVol.D1; 18.3, page 252 - 255 ; (from Gmelin), View in Reaxys

dark brown

formic acid

Hummel, D.; Janssen, O.; Zeitschrift fuer Physikalische Chemie (Muenchen); vol. 31; (1962); p. 111 - 139, View in Reaxys; vol. C: MVol.D1; 18.3, page 252 - 255 ; (from Gmelin), View in Reaxys

dark brown

pyridine

Hummel, D.; Janssen, O.; Zeitschrift fuer Physikalische Chemie (Muenchen); vol. 31; (1962); p. 111 - 139, View in Reaxys; vol. C: MVol.D1; 18.3, page 252 - 255 ; (from Gmelin), View in Reaxys

pale yellow

CH3OH

Hummel, D.; Janssen, O.; Zeitschrift fuer Physikalische Chemie (Muenchen); vol. 31; (1962); p. 111 - 139, View in Reaxys; vol. C: MVol.D1; 18.3, page 252 - 255 ; (from Gmelin), View in Reaxys

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pale yellow

H2O

Hummel, D.; Janssen, O.; Zeitschrift fuer Physikalische Chemie (Muenchen); vol. 31; (1962); p. 111 - 139, View in Reaxys; vol. C: MVol.D1; 18.3, page 252 - 255 ; (from Gmelin), View in Reaxys

pale yellow

ethanol

Hummel, D.; Janssen, O.; Zeitschrift fuer Physikalische Chemie (Muenchen); vol. 31; (1962); p. 111 - 139, View in Reaxys; vol. C: MVol.D1; 18.3, page 252 - 255 ; (from Gmelin), View in Reaxys

pale yellow

isopropanol

Hummel, D.; Janssen, O.; Zeitschrift fuer Physikalische Chemie (Muenchen); vol. 31; (1962); p. 111 - 139, View in Reaxys; vol. C: MVol.D1; 18.3, page 252 - 255 ; (from Gmelin), View in Reaxys

dimorph

Dulmage; Lipscomb; Acta Crystallographica; vol. 4; (1951); p. 330, View in Reaxys

colorless

Giauque; Ruehrwein; Journal of the American Chemical Society; vol. 61; (1939); p. 2626, View in Reaxys; vol. C: MVol.D1; 15.4.2.3, page 127 - 161 ; (from Gmelin), View in Reaxys Cs

vol. C: MVol.D1; 15.4.26, page 162 - 167, View in Reaxys; Herzberg, G.; Molecular Spectra and Molecular Structure III. Electronic Spectra and Electronic Structure of Polyatomic Molecules, Princeton - Toronto - New York - London 1966, S. 588 ; (from Gmelin), View in Reaxys

Crystal System (4) Crystal System References rhombic

Dulmage; Lipscomb; Acta Crystallographica; vol. 4; (1951); p. 330, View in Reaxys

tetragonal

Dulmage; Lipscomb; Acta Crystallographica; vol. 4; (1951); p. 330, View in Reaxys

Rhombic

Dulmage, W. J.; Lipscomb, W. N.; Acta Crystallographica; vol. 4; (1951); p. 330 - 334, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys

Tetragonal

Dulmage, W. J.; Lipscomb, W. N.; Acta Crystallographica; vol. 4; (1951); p. 330 - 334, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys

Decomposition (2) 1 of 2

Decomposition [°C]

1116

Sherwood, T. K.; Gilliland, E. R.; Ing, S. W.; Industrial and Engineering Chemistry; vol. 52; (1960); p. 601 - 604, View in Reaxys; vol. C: MVol.D1; 15.11.1.1, page 199 - 206 ; (from Gmelin), View in Reaxys 2 of 2

Decomposition [°C]

1000

Voerkelius, G. A.; Chemiker-Zeitung; (1909); p. 1078 - 1081, View in Reaxys; vol. C: MVol.D1; 15.11.1.1, page 199 - 206 ; (from Gmelin), View in Reaxys Dielectric Constant (78) Dielectric ConFrequency (Diestant lectric Constant) [Hz]

Temperature (Die- Comment (Dielec- References lectric Constant) tric Constant) [°C]

158.45

Kortuem, G.; Reber, H.; Zeitschrift fuer Elektrochemie; vol. 65; (1961); p. 809 - 812, View in Reaxys; vol. C: MVol.D1; 15.11.11.7, page 224 - 242 ; (from Gmelin), View in Reaxys

205.5 - 105.7

-13.3 - 25.7

Cole; Journal of the American Chemical Society; vol. 77; (1955); p. 2012, View in Reaxys

-15 - 25

Coates; Coates; Journal of the Chemical Society; (1944); p. 80, View in Reaxys

79559.9 105.7

25.7

Liquid

Coates, G. E.; Coates, J. E.; Journal of the Chemical Society; (1944); p. 77 - 81, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys

106.8

Liquid

Coates, G. E.; Coates, J. E.; Journal of the Chemical Society; (1944); p. 77 - 81, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys

114.9

Liquid

Coates, G. E.; Coates, J. E.; Journal of the Chemical Society; (1944); p. 77 - 81,

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View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys 118.3

Liquid

Coates, G. E.; Coates, J. E.; Journal of the Chemical Society; (1944); p. 77 - 81, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys

123.5

Liquid

Coates, G. E.; Coates, J. E.; Journal of the Chemical Society; (1944); p. 77 - 81, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys

133.3

Liquid

Coates, G. E.; Coates, J. E.; Journal of the Chemical Society; (1944); p. 77 - 81, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys

144.8

Liquid

Coates, G. E.; Coates, J. E.; Journal of the Chemical Society; (1944); p. 77 - 81, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys

158.1

Liquid

Coates, G. E.; Coates, J. E.; Journal of the Chemical Society; (1944); p. 77 - 81, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys

173.7

-5

Liquid

Coates, G. E.; Coates, J. E.; Journal of the Chemical Society; (1944); p. 77 - 81, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys

191.9

-10

Liquid

Coates, G. E.; Coates, J. E.; Journal of the Chemical Society; (1944); p. 77 - 81, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys

205.5

-13.3

Liquid

Coates, G. E.; Coates, J. E.; Journal of the Chemical Society; (1944); p. 77 - 81, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys

213.2

-15

Liquid

Coates, G. E.; Coates, J. E.; Journal of the Chemical Society; (1944); p. 77 - 81, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys

116

Liquid

Oster, G.; Kirkwood, J. G.; Journal of Chemical Physics; vol. 11; (1943); p. 175 - 178, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys

-186.5 - -21.1

Smyth; McNeight; Journal of the American Chemical Society; vol. 58; (1936); p. 1724, View in Reaxys

19.4

500

-22.2

Solid

Smyth, C. P.; McNeight, S. A.; Journal of the American Chemical Society; vol. 58; (1936); p. 1723 - 1728, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys

2.33

500

-186.4

Solid

Smyth, C. P.; McNeight, S. A.; Journal of the American Chemical Society; vol. 58; (1936); p. 1723 - 1728, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys

2.35

50000

-186.4

Solid

Smyth, C. P.; McNeight, S. A.; Journal of the American Chemical Society; vol. 58; (1936); p. 1723 - 1728, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys

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2018-01-18 00:45:07

2.36

500

-170.9

Solid

Smyth, C. P.; McNeight, S. A.; Journal of the American Chemical Society; vol. 58; (1936); p. 1723 - 1728, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys

2.38

50000

-170.9

Solid

Smyth, C. P.; McNeight, S. A.; Journal of the American Chemical Society; vol. 58; (1936); p. 1723 - 1728, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys

2.39

5000

-186.4

Solid

Smyth, C. P.; McNeight, S. A.; Journal of the American Chemical Society; vol. 58; (1936); p. 1723 - 1728, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys

2.41

500

-151.1

Solid

Smyth, C. P.; McNeight, S. A.; Journal of the American Chemical Society; vol. 58; (1936); p. 1723 - 1728, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys

2.41

5000

-170.9

Solid

Smyth, C. P.; McNeight, S. A.; Journal of the American Chemical Society; vol. 58; (1936); p. 1723 - 1728, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys

2.42

5000

-151.1

Solid

Smyth, C. P.; McNeight, S. A.; Journal of the American Chemical Society; vol. 58; (1936); p. 1723 - 1728, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys

2.42

50000

-151.1

Solid

Smyth, C. P.; McNeight, S. A.; Journal of the American Chemical Society; vol. 58; (1936); p. 1723 - 1728, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys

2.43

500

-135.9

Solid

Smyth, C. P.; McNeight, S. A.; Journal of the American Chemical Society; vol. 58; (1936); p. 1723 - 1728, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys

2.44

50000

-135.9

Solid

Smyth, C. P.; McNeight, S. A.; Journal of the American Chemical Society; vol. 58; (1936); p. 1723 - 1728, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys

2.46

5000

-135.9

Solid

Smyth, C. P.; McNeight, S. A.; Journal of the American Chemical Society; vol. 58; (1936); p. 1723 - 1728, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys

2.56

500

-105.5

Solid

Smyth, C. P.; McNeight, S. A.; Journal of the American Chemical Society; vol. 58; (1936); p. 1723 - 1728, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys

2.58

50000

-105.5

Solid

Smyth, C. P.; McNeight, S. A.; Journal of the American Chemical Society; vol. 58; (1936); p. 1723 - 1728, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys

2.6

5000

-105.5

Solid

Smyth, C. P.; McNeight, S. A.; Journal of the American Chemical Society; vol. 58; (1936); p.

77/296

2018-01-18 00:45:07

1723 - 1728, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys 26

500

-21

Solid

Smyth, C. P.; McNeight, S. A.; Journal of the American Chemical Society; vol. 58; (1936); p. 1723 - 1728, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys

2.7

50000

-79.6

Solid

Smyth, C. P.; McNeight, S. A.; Journal of the American Chemical Society; vol. 58; (1936); p. 1723 - 1728, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys

2.72

500

-79.6

Solid

Smyth, C. P.; McNeight, S. A.; Journal of the American Chemical Society; vol. 58; (1936); p. 1723 - 1728, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys

2.73

5000

-79.6

Solid

Smyth, C. P.; McNeight, S. A.; Journal of the American Chemical Society; vol. 58; (1936); p. 1723 - 1728, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys

2.81

50000

-61.9

Solid

Smyth, C. P.; McNeight, S. A.; Journal of the American Chemical Society; vol. 58; (1936); p. 1723 - 1728, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys

2.86

5000

-61.9

Solid

Smyth, C. P.; McNeight, S. A.; Journal of the American Chemical Society; vol. 58; (1936); p. 1723 - 1728, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys

2.95

50000

-46.6

Solid

Smyth, C. P.; McNeight, S. A.; Journal of the American Chemical Society; vol. 58; (1936); p. 1723 - 1728, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys

2.97

500

-61.9

Solid

Smyth, C. P.; McNeight, S. A.; Journal of the American Chemical Society; vol. 58; (1936); p. 1723 - 1728, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys

3.03

5000

-46.6

Solid

Smyth, C. P.; McNeight, S. A.; Journal of the American Chemical Society; vol. 58; (1936); p. 1723 - 1728, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys

3.33

500

-46.6

Solid

Smyth, C. P.; McNeight, S. A.; Journal of the American Chemical Society; vol. 58; (1936); p. 1723 - 1728, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys

3.61

50000

-26.3

Solid

Smyth, C. P.; McNeight, S. A.; Journal of the American Chemical Society; vol. 58; (1936); p. 1723 - 1728, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys

4.7

5000

-26.3

Solid

Smyth, C. P.; McNeight, S. A.; Journal of the American Chemical Society; vol. 58; (1936); p. 1723 - 1728, View in Reaxys; vol. C: MVol.D1;

78/296

2018-01-18 00:45:07

15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys 5.2

50000

-22.2

Solid

Smyth, C. P.; McNeight, S. A.; Journal of the American Chemical Society; vol. 58; (1936); p. 1723 - 1728, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys

5.6

50000

-21

Solid

Smyth, C. P.; McNeight, S. A.; Journal of the American Chemical Society; vol. 58; (1936); p. 1723 - 1728, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys

7.9

5000

-22.2

Solid

Smyth, C. P.; McNeight, S. A.; Journal of the American Chemical Society; vol. 58; (1936); p. 1723 - 1728, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys

8.17

500

-26.3

Solid

Smyth, C. P.; McNeight, S. A.; Journal of the American Chemical Society; vol. 58; (1936); p. 1723 - 1728, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys

9.1

5000

-21

Solid

Smyth, C. P.; McNeight, S. A.; Journal of the American Chemical Society; vol. 58; (1936); p. 1723 - 1728, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys

194.4 - 113.2

-13.4 - 22.1

113.2

22.1

Liquid

Fredenhagen, K.; Dahmlos, J.; Zeitschrift fuer Anorganische und Allgemeine Chemie; vol. 179; (1929); p. 77 - 88, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys

116.1

Liquid

122.9

15.6

Liquid

127.6

Liquid

132.1

10.2

Liquid

138.4

Liquid

Fredenhagen, K.; Dahmlos, J.; Zeitschrift fuer Anorganische und Allgemeine Chemie; vol. 179; (1929); p. 77 - 88, View in Reaxys; vol. C:

Fredenhagen; Dahmlos; Zeitschrift fuer Physikalische Chemie, Stoechiometrie und Verwandtschaftslehre; vol. 128; (1927); p. 21, View in Reaxys; Fredenhagen; Dahmlos; Zeitschrift fuer Anorganische und Allgemeine Chemie; vol. 179; (1929); p. 85, View in Reaxys

79/296

2018-01-18 00:45:07

MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys 144.5

Liquid

155.7

-1

Liquid

161

-3

Liquid

175

-8

Liquid

183.3

-10.5

Liquid

194.4

-13.4

Liquid

1.02

3.94737E+08

Cordonnier; Guinchant; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 185; (1927); p. 1449, View in Reaxys

114

22.1

Bredig; Angewandte Chemie; vol. 36; (1923); p. 457, View in Reaxys

227

-13.5

Bredig; Angewandte Chemie; vol. 36; (1923); p. 457, View in Reaxys

114

22.1

Liquid

Bredig, G.; Angewandte Chemie; vol. 36; (1923); p. 456 - 458, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys

123

15.6

Liquid

Bredig, G.; Angewandte Chemie; vol. 36; (1923); p. 456 - 458, View in Reaxys; vol. C: MVol.D1; 15.11.8, page 213 - 224, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199, View in Reaxys; Audrieth, L. F.; Kleinberg, J.; Non-Aqueous Solvents, New York-London 1953, p.135/40, View in Reaxys; Jander, G.; Lafrenz, C.; Wasseraehnliche Loesungsmittel, Weinheim/bergstr. 1968, S.120/126, View in Reaxys; Jander, G.; Die Chemie in wasseraehnlichen Loesungsmitteln, Berlin-Goettingen-Heidelberg 1949, S.120/69 ; (from Gmelin), View in Reaxys

132

10.2

Liquid

Bredig, G.; Angewandte Chemie; vol. 36; (1923); p. 456 - 458, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys

165

-1

Liquid

Bredig, G.; Angewandte Chemie; vol. 36; (1923); p. 456 - 458, View in Reaxys; vol. C:

80/296

2018-01-18 00:45:07

MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys 171

-3

Liquid

Bredig, G.; Angewandte Chemie; vol. 36; (1923); p. 456 - 458, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys

205

-10.5

Liquid

Bredig, G.; Angewandte Chemie; vol. 36; (1923); p. 456 - 458, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys

227

-13.4

Liquid

Bredig, G.; Angewandte Chemie; vol. 36; (1923); p. 456 - 458, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys

2.4

-25

Schaefer; Schlundt; Journal of Physical Chemistry; vol. 13; (1909); p. 671, View in Reaxys

3.05

-70

Schaefer; Schlundt; Journal of Physical Chemistry; vol. 13; (1909); p. 671, View in Reaxys Schlundt; Chem. Zentralbl.; vol. 72; nb. I; (1901); p. 1135, View in Reaxys

Werner; Ph. Ch. <B>; vol. 4; p. 377, View in Reaxys

3.4

-40

Werner; Ph. Ch. <B>; vol. 4; p. 380, View in Reaxys

Dissociation Energy (6) Dissociation EnBond Type ergy [Jmol-1]

Comment (Dissociation Energy)

References

information on dissociation energy

Stevenson; Journal of Chemical Physics; vol. 18; (1950); p. 1347,1348, 1350, View in Reaxys; Tsang et al.; Journal of Chemical Physics; vol. 36; (1962); p. 1768, View in Reaxys; Parker, Vernon D.; Journal of the American Chemical Society; vol. 114; nb. 19; (1992); p. 7458 - 7462, View in Reaxys; Ochterski, Joseph W.; Petersson; Montgomery Jr.; Journal of Chemical Physics; vol. 104; nb. 7; (1996); p. 2598 - 2619, View in Reaxys; Martell, Jaime M.; Goddard, John D.; Eriksson, Leif A.; Journal of Physical Chemistry A; vol. 101; nb. 10; (1997); p. 1927 - 1934, View in Reaxys; Cook, Phillip A.; Langford, Stephen R.; Ashfold, Michael N. R.; Dixon, Richard N.; Journal of Chemical Physics; vol. 113; nb. 3; (2000); p. 994 - 1004, View in Reaxys; Hu; Zhang; Hepburn; Journal of Chemical Physics; vol. 124; nb. 7; (2006); Art.No: 074310, View in Reaxys; Berkowitz, J.; Chupka, W. A.; Walter, T. A.; Chemical Physics; vol. 50; (1969); p. 1497 - 1500, View in Reaxys; Berkowitz, J.; Journal of Chemical Physics; vol. 36; (1962); p. 2533 - 2539, View in Reaxys; Boden, J. C.; Thrush, B. A.; Proceedings of the Royal Society of London, Series A: Mathematical, Physical and Engineering Sciences; vol. 305; (1968); p. 107 - 123, View in Reaxys; Davis, D. D.; Okabe, H.; Journal of Chemical Physics; vol. 49; (1968); p. 5526 - 5531, View in Reaxys; Dibeler, V. H.; Liston, S. K.; Journal of Chemical Physics; vol. 48; (1968); p. 4765 - 4768, View in Reaxys; Funke, G. W.; Lindholm, E.; Zeitschrift fuer Physik; vol. 106; (1937); p. 518 531, View in Reaxys; Harris Loew, G.; Theoretica Chimica Acta; vol. 20; (1971); p. 203 - 215, View in Reaxys; Herzberg, G.; Innes, K. K.; Canadian Journal of Physics; vol. 35; (1957); p. 842 - 879, View in Reaxys; Knight, H. T.; Rink, J. P.; Journal of Chemical Physics; vol. 35; (1961); p. 199 - 208, View in Reaxys; Long, L. H.; Proceedings of the Royal Society of London, Series A: Mathematical, Physical and Engineering Sciences; vol. 198; (1949); p. 62 - 81, View in Reaxys; Setser, D. W.; Stedman, D. H.; Journal of Chemical Physics; vol. 49; (1968); p. 467 - 469, View in Reaxys; vol. C: MVol.D1; 15.5.16, page 175 - 178, View in Reaxys; Cottrell, T. L.; The Strengths of Chemical Bonds, London 1958, S. 184, View in Reaxys; Herzberg, G.; Molecular Spectra and Molecular Structure III. Electronic Spectra and Electronic Structure of Polyatomic Molecules, Princeton - Toronto - New York - London 1966, S. 588,

81/296

2018-01-18 00:45:07

View in Reaxys; Wicke, E.; in: Landolt-Boernstein PhysikalischChemische Tabellen, herausgegeben von W. A. Roth und K. Scheel, V. Auflage, J. Springer, Berlin. Bd. 1, Tl. 2, 1951, S. 38, View in Reaxys; Kerr, J. A.; Chemical Reviews (Washington, DC, United States); vol. 66; (1966); p. 465 - 500, View in Reaxys; Kraka, Elfi; Chemical Physics; vol. 161; (1992); p. 149 - 154, View in Reaxys; Zheng, Dunsheng; Wu, Guozhen; Chemical Physics; vol. 290; nb. 1; (2003); p. 121 - 127 ; (from Gmelin), View in Reaxys Davies; Boobyer; Journal of the Chemical Society [Section] B: Physical Organic; (1966); p. 910, View in Reaxys; Dibeler; Liston; Journal of Chemical Physics; vol. 48; (1968); p. 4765,4767, View in Reaxys; Knight; Rink; Journal of Chemical Physics; vol. 35; (1961); p. 199, View in Reaxys; Legon et al.; Chemical Physics Letters; vol. 55; (1978); p. 157, View in Reaxys; Ram et al.; Spectroscopy Letters; vol. 6; (1973); p. 541, View in Reaxys 473108

H-CN

Herzberg; Innes; Canad. J. Physics; vol. 35; (1957); p. 842,874, View in Reaxys

937424

HC-N

Herzberg; Innes; Canad. J. Physics; vol. 35; (1957); p. 842,874, View in Reaxys

481063

H-CN

McDowell; Warren; Transactions of the Faraday Society; vol. 48; (1952); p. 1084,1091, View in Reaxys

464735

H-CN

Stevenson; Journal of Chemical Physics; vol. 18; (1950); p. 1347,1348, 1350, View in Reaxys

Dissociation Exponent (15) 1 of 15

Dissociation Exponent (pK)

Solvent (Dissociation Exponent)

water

Type (Dissociation Exponent)

a1/apparent

Karmakar, Srikanta; Maity, Dinesh; Mardanya, Sourav; Baitalik, Sujoy; Dalton Transactions; vol. 44; nb. 42; (2015); p. 18607 - 18623, View in Reaxys 2 of 15

Dissociation Exponent (pK)

9.5

Solvent (Dissociation Exponent)

dimethyl sulfoxide; water

Method (Dissociation Exponent)

potentiometric

Type (Dissociation Exponent)

a1/apparent

Comment (Dissociation Exponent)

dimethylsulfoxide (70 vol percent); water (30 vol percent)

Song, Ki Cheol; Lee, Kang Mun; Nghia, Nguyen Van; Sung, Woo Young; Do, Youngkyu; Lee, Min Hyung; Organometallics; vol. 32; nb. 3; (2013); p. 817 - 823, View in Reaxys 3 of 15

Comment (Dissociation Exponent)

(k')von 2570-3570 K

Tabayashi et al.; Bulletin of the Chemical Society of Japan; vol. 50; (1977); p. 1754, View in Reaxys 4 of 15

Comment (Dissociation Exponent)

(pk')pKa (T) 25grad<=T<=150grad

Tsonopoulos et al.; Journal of Chemical and Engineering Data; vol. 21; (1976); p. 190,191, View in Reaxys 5 of 15

Comment (Dissociation Exponent)

(pk')pK-Wert (s. Tab.)

Marshall,D.R. et al.; Journal of the Chemical Society, Chemical Communications; (1975); p. 940 - 941, View in Reaxys

82/296

2018-01-18 00:45:07

6 of 15

Comment (Dissociation Exponent)

(pk')Pk(a):12 (Tab.1), potentiometr. Titrat.

Butin et al.; Journal of Organometallic Chemistry; vol. 25; (1970); p. 11,12, View in Reaxys 7 of 15

Comment (Dissociation Exponent)

(pk')Abhaengigkeit von NaClO4-Konz. (Tabelle 2)

Bingham; Burnett; Journal of the Chemical Society [Section] A: Inorganic, Physical, Theoretical; (1970); p. 2165,2167, View in Reaxys 8 of 15

Comment (Dissociation Exponent)

(pk')pK(a)

Courtot-Coupez; Le Demezet; Bulletin de la Societe Chimique de France; (1969); p. 1033, View in Reaxys; Boughton; Keller; Journal of Inorganic and Nuclear Chemistry; vol. 28; (1966); p. 2851,2858, View in Reaxys; Sandell; Naturwissenschaften; vol. 51; (1964); p. 336, View in Reaxys 9 of 15

Comment (Dissociation Exponent)

(pk')pKa(C-H; polarographisch bestimmt)

Butin et al.; Doklady Chemistry; vol. 175; (1967); p. 704; Doklady Akademii Nauk SSSR; vol. 175; (1967); p. 1055, View in Reaxys 10 of 15

Comment (Dissociation Exponent)

(k')

Boughton; Keller; Journal of Inorganic and Nuclear Chemistry; vol. 28; (1966); p. 2851,2858, View in Reaxys 11 of 15

Dissociation Exponent (pK)

9.22

Temperature (Dissociation Exponent) [°C]

Solvent (Dissociation Exponent)

H2O

Method (Dissociation Exponent)

spectrophotometric

Type (Dissociation Exponent)

a/thermodynamic

Ang; Journal of the Chemical Society; (1959); p. 3822,3823, View in Reaxys 12 of 15

Dissociation Exponent (pK)

9.14

Temperature (Dissociation Exponent) [°C]

Solvent (Dissociation Exponent)

H2O

Method (Dissociation Exponent)

potentiometric

Type (Dissociation Exponent)

a/apparent

Anderegg; Helvetica Chimica Acta; vol. 40; (1957); p. 1022,1026, View in Reaxys 13 of 15

Dissociation Exponent (pK)

9.32

Method (Dissociation Exponent)

potentiometric

Type (Dissociation Exponent)

thermodynamic

Britton; Robinson; Transactions of the Faraday Society; vol. 28; (1932); p. 536; Chem. Zentralbl.; vol. 103; nb. II; (1932); p. 2849, View in Reaxys 14 of 15

Dissociation Exponent (pK)

9.35

83/296

2018-01-18 00:45:07

Type (Dissociation Exponent)

thermodynamic

Britton; Robinson; Journal of the Chemical Society; (1931); p. 467; Transactions of the Faraday Society; vol. 28; (1932); p. 536, View in Reaxys 15 of 15

Dissociation Exponent (pK)

9.31

Type (Dissociation Exponent)

thermodynamic

Britton; Dodd; Journal of the Chemical Society; (1931); p. 2334, View in Reaxys Dynamic Viscosity (27) Dynamic Viscosi- Temperature (Dyty [P] namic Viscosity) [°C]

Comment (Dynamic Viscosity)

References

0.0001106

127

Gaseous

vol. C: MVol.D1; 15.6, page 186 - 193, View in Reaxys; Svehla, R. A.; NASA-TR-R-132 (1962) 1/140, 84; N.S.A.; vol. 16; (1962); p. 13210 ; (from Gmelin), View in Reaxys

0.0001389

227

Gaseous

vol. C: MVol.D1; 15.6, page 186 - 193, View in Reaxys; Svehla, R. A.; NASA-TR-R-132 (1962) 1/140, 84; N.S.A.; vol. 16; (1962); p. 13210 ; (from Gmelin), View in Reaxys

0.0001668

327

Gaseous

vol. C: MVol.D1; 15.6, page 186 - 193, View in Reaxys; Svehla, R. A.; NASA-TR-R-132 (1962) 1/140, 84; N.S.A.; vol. 16; (1962); p. 13210 ; (from Gmelin), View in Reaxys

0.0001941

427

Gaseous

vol. C: MVol.D1; 15.6, page 186 - 193, View in Reaxys; Svehla, R. A.; NASA-TR-R-132 (1962) 1/140, 84; N.S.A.; vol. 16; (1962); p. 13210 ; (from Gmelin), View in Reaxys

0.0002706

727

Gaseous

vol. C: MVol.D1; 15.6, page 186 - 193, View in Reaxys; Svehla, R. A.; NASA-TR-R-132 (1962) 1/140, 84; N.S.A.; vol. 16; (1962); p. 13210 ; (from Gmelin), View in Reaxys

0.0003798

1227

Gaseous

vol. C: MVol.D1; 15.6, page 186 - 193, View in Reaxys; Svehla, R. A.; NASA-TR-R-132 (1962) 1/140, 84; N.S.A.; vol. 16; (1962); p. 13210 ; (from Gmelin), View in Reaxys

5.68E-05

-73

Gaseous

vol. C: MVol.D1; 15.6, page 186 - 193, View in Reaxys; Svehla, R. A.; NASA-TR-R-132 (1962) 1/140, 84; N.S.A.; vol. 16; (1962); p. 13210 ; (from Gmelin), View in Reaxys

0.0006323

2727

Gaseous

vol. C: MVol.D1; 15.6, page 186 - 193, View in Reaxys; Svehla, R. A.; NASA-TR-R-132 (1962) 1/140, 84; N.S.A.; vol. 16; (1962); p. 13210 ; (from Gmelin), View in Reaxys

8.29E-05

Gaseous

vol. C: MVol.D1; 15.6, page 186 - 193, View in Reaxys; Svehla, R. A.; NASA-TR-R-132 (1962) 1/140, 84; N.S.A.; vol. 16; (1962); p. 13210 ; (from Gmelin), View in Reaxys

0.000892

4727

Gaseous

vol. C: MVol.D1; 15.6, page 186 - 193, View in Reaxys; Svehla, R. A.; NASA-TR-R-132 (1962) 1/140, 84; N.S.A.; vol. 16; (1962); p. 13210 ; (from Gmelin), View in Reaxys

0.00232

0.001986

Coates; Taylor; Journal of the Chemical Society; (1936); p. 1247, View in Reaxys; Coates; Davies; Journal of the Chemical Society; (1950); p. 1194,1197, View in Reaxys

0.001834 0.002756

-13.3 - 25

Coates; Davies; Journal of the Chemical Society; (1950); p. 1194,1197, View in Reaxys

Kortuem, G.; Reber, H.; Zeitschrift fuer Elektrochemie; vol. 65; (1961); p. 809 - 812, View in Reaxys; vol. C: MVol.D1; 15.11.11.7, page 224 - 242 ; (from Gmelin), View in Reaxys Liquid

Kortuem, G.; Reber, H.; Zeitschrift fuer Elektrochemie; vol. 65; (1961); p. 809 - 812, View in Reaxys; Lange, J.; Berga, J.; Konopik, N.; Monatshefte fuer Chemie; vol. 80; (1949); p. 708 - 719, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys

84/296

2018-01-18 00:45:07

0.001834

Liquid

Coates, J. E.; Davies, R. H.; Journal of the Chemical Society; (1950); p. 1194 - 1199, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys

0.001885

Liquid

Coates, J. E.; Davies, R. H.; Journal of the Chemical Society; (1950); p. 1194 - 1199, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys

0.001955

Liquid

Coates, J. E.; Davies, R. H.; Journal of the Chemical Society; (1950); p. 1194 - 1199, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys

0.002014

Liquid

Coates, J. E.; Davies, R. H.; Journal of the Chemical Society; (1950); p. 1194 - 1199, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys

0.002114

Liquid

Coates, J. E.; Davies, R. H.; Journal of the Chemical Society; (1950); p. 1194 - 1199, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys

0.002228

Liquid

Coates, J. E.; Davies, R. H.; Journal of the Chemical Society; (1950); p. 1194 - 1199, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys

0.002355

Liquid

Coates, J. E.; Davies, R. H.; Journal of the Chemical Society; (1950); p. 1194 - 1199, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys

0.002492

-5

Liquid

Coates, J. E.; Davies, R. H.; Journal of the Chemical Society; (1950); p. 1194 - 1199, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys

0.002644

-10

Liquid

Coates, J. E.; Davies, R. H.; Journal of the Chemical Society; (1950); p. 1194 - 1199, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys

0.002756

-13.3

Liquid

Coates, J. E.; Davies, R. H.; Journal of the Chemical Society; (1950); p. 1194 - 1199, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys

7.4E-05 0.000174

20.9 - 334.3

Braune; Linke; Zeitschrift fuer Physikalische Chemie, Abteilung A: Chemische Thermodynamik, Kinetik, Elektrochemie, Eigenschaftslehre; vol. 148; (1930); p. 207, View in Reaxys

0.00201 0.00259

-7.5 - 20.2

Fredenhagen; Dahmlos; Zeitschrift fuer Anorganische und Allgemeine Chemie; vol. 179; (1929); p. 85, View in Reaxys

0.002014

20.2

Liquid

vol. C: MVol.D1; 15.6, page 186 - 193, View in Reaxys; Montgomery, P. D.; in: R. E. Kirk, D. F. Othmer, Encyclopedia of Chemical Technology, 2. Aufl., Bd. 6, New York - London - Sydney 1965, S. 574/85, 575 ; (from Gmelin), View in Reaxys

Electrical Data (49) 1 of 49

Description (Electrical Data)

Electronic band structure

Martinez; Lehmann, Kevin K; Carter, Stuart; The Journal of chemical physics; vol. 120; nb. 2; (2004); p. 691 703, View in Reaxys; Martinez, R. Z.; Lehmann, Kevin K.; Carter, Stuart; Journal of Chemical Physics; p. 1 - 4; Art.No: 174306; Journal of Chemical Physics; vol. 125; (2006) ; (from Gmelin), View in Reaxys 2 of 49

Description (Electrical Data)

Electrical conductivity

Centnerszwer; Zeitschrift fuer Physikalische Chemie, Stoechiometrie und Verwandtschaftslehre; vol. 39; (1902); p. 217, View in Reaxys; Ostwald; Journal fuer Praktische Chemie (Leipzig); vol. <2> 32; (1885); p. 304, View in Reaxys; Walker; Cormack; Journal of the Chemical Society; vol. 77; (1900); p. 18,20, View in Reaxys; Taylor et al.; Journal of Chemical Physics; vol. 69; (1978); p. 4669, View in Reaxys 3 of 49

Description (Electrical Data)

Electrical properties

Barfield; Grant; Journal of Chemical Physics; vol. 67; (1977); p. 3322, View in Reaxys 4 of 49

Description (Electrical Data)

Piezoelectricity

85/296

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Pezolet, M.; Savoie, R.; Canadian Journal of Chemistry; vol. 47; (1969); p. 3041 - 3048, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys 5 of 49

Description (Electrical Data)

Pyroelectricity

Pezolet, M.; Savoie, R.; Canadian Journal of Chemistry; vol. 47; (1969); p. 3041 - 3048, View in Reaxys; Rae, A. I. M.; Molecular Physics; vol. 16; (1969); p. 257 - 273, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys 6 of 49

Description (Electrical Data)

Dielectric loss

Davies; Williams; Transactions of the Faraday Society; vol. 64; (1968); p. 529,543, View in Reaxys 7 of 49

Description (Electrical Data)

Electrical conductivity

Electric Conductivity [S/cm]

8E-09

Temperature of Electric Conductivity [°C]

Comment (Electrical Da- Liquid ta) Lange, J.; Berga, J.; Konopik, N.; Monatshefte fuer Chemie; vol. 80; (1949); p. 708 - 719, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys 8 of 49

Description (Electrical Data)

Electrical conductivity

Comment (Electrical Da- Spezifische Leitfaehigkeit von fluessigem HCN bei 18grad: etwas unterhalb 5*10E-7 rez. ta) Ohm. Jander; Scholz; Zeitschrift fuer Physikalische Chemie, Abteilung A: Chemische Thermodynamik, Kinetik, Elektrochemie, Eigenschaftslehre; vol. 192; (1943); p. 172,174, View in Reaxys; Coates; Taylor; Journal of the Chemical Society; (1936); p. 1247, View in Reaxys 9 of 49

Description (Electrical Data)

Electrical conductivity

Comment (Electrical Da- Spezifische Leitfaehigkeit von festem HCN zwischen -186.46grad und -21.06grad. ta) Smyth; McNeight; Journal of the American Chemical Society; vol. 58; (1936); p. 1724, View in Reaxys 10 of 49

Description (Electrical Data)

Electrical conductivity

Comment (Electrical Da- in fluessigem NH3 bei -40grad. ta) Gurjanowa; Plesskow; Zhurnal Fizicheskoi Khimii; vol. 8; (1936); p. 345; Chem. Zentralbl.; vol. 108; nb. II; (1937); p. 2800, View in Reaxys 11 of 49

Description (Electrical Data)

Electrical conductivity

Electric Conductivity [S/cm]

1.06E-09

Temperature of Electric Conductivity [°C]

-105.5

Comment (Electrical Da- at 50 KHz; Solid ta) Smyth, C. P.; McNeight, S. A.; Journal of the American Chemical Society; vol. 58; (1936); p. 1723 - 1728, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys 12 of 49

Description (Electrical Data)

Electrical conductivity

Electric Conductivity [S/cm]

1.06E-09

86/296

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Temperature of Electric Conductivity [°C]

-79.6

Description (Electrical Data)

Electrical conductivity

Electric Conductivity [S/cm]

1.09E-07

Temperature of Electric Conductivity [°C]

-22.2

Description (Electrical Data)

Electrical conductivity

Electric Conductivity [S/cm]

1.19E-07

Temperature of Electric Conductivity [°C]

-22.2

Comment (Electrical Da- at 0.5 KHz; Solid ta) Smyth, C. P.; McNeight, S. A.; Journal of the American Chemical Society; vol. 58; (1936); p. 1723 - 1728, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys 15 of 49

Description (Electrical Data)

Electrical conductivity

Electric Conductivity [S/cm]

1.25E-07

Temperature of Electric Conductivity [°C]

-21

Description (Electrical Data)

Electrical conductivity

Electric Conductivity [S/cm]

1.25E-09

Temperature of Electric Conductivity [°C]

-61.6

Description (Electrical Data)

Electrical conductivity

Electric Conductivity [S/cm]

1.3E-10

Temperature of Electric Conductivity [°C]

-46.6

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Description (Electrical Data)

Electrical conductivity

Electric Conductivity [S/cm]

1.3E-10

Temperature of Electric Conductivity [°C]

-79.6

Comment (Electrical Da- at 5 KHz; Solid ta) Smyth, C. P.; McNeight, S. A.; Journal of the American Chemical Society; vol. 58; (1936); p. 1723 - 1728, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys 19 of 49

Description (Electrical Data)

Electrical conductivity

Electric Conductivity [S/cm]

1.51E-07

Temperature of Electric Conductivity [°C]

-21

Description (Electrical Data)

Electrical conductivity

Electric Conductivity [S/cm]

1.63E-07

Temperature of Electric Conductivity [°C]

-21

Description (Electrical Data)

Electrical conductivity

Electric Conductivity [S/cm]

1.74E-08

Temperature of Electric Conductivity [°C]

-26.3

Description (Electrical Data)

Electrical conductivity

Electric Conductivity [S/cm]

2.24E-09

Temperature of Electric Conductivity [°C]

-46.6

Comment (Electrical Da- at 50 KHz; Solid ta)

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Smyth, C. P.; McNeight, S. A.; Journal of the American Chemical Society; vol. 58; (1936); p. 1723 - 1728, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys 23 of 49

Description (Electrical Data)

Electrical conductivity

Electric Conductivity [S/cm]

2.6E-10

Temperature of Electric Conductivity [°C]

-61.9

Description (Electrical Data)

Electrical conductivity

Electric Conductivity [S/cm]

4E-10

Temperature of Electric Conductivity [°C]

-170.9

Description (Electrical Data)

Electrical conductivity

Electric Conductivity [S/cm]

4E-10

Temperature of Electric Conductivity [°C]

-186.4

Description (Electrical Data)

Electrical conductivity

Electric Conductivity [S/cm]

4.6E-10

Temperature of Electric Conductivity [°C]

-46.6

Description (Electrical Data)

Electrical conductivity

Electric Conductivity [S/cm]

4.92E-09

Temperature of Electric Conductivity [°C]

-26.3

89/296

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28 of 49

Description (Electrical Data)

Electrical conductivity

Electric Conductivity [S/cm]

5E-11

Temperature of Electric Conductivity [°C]

-186.4 - -79.6

Description (Electrical Data)

Electrical conductivity

Electric Conductivity [S/cm]

6.89E-09

Temperature of Electric Conductivity [°C]

-26.3

Description (Electrical Data)

Electrical conductivity

Electric Conductivity [S/cm]

7E-11

Temperature of Electric Conductivity [°C]

-105.5

Description (Electrical Data)

Electrical conductivity

Electric Conductivity [S/cm]

7E-11

Temperature of Electric Conductivity [°C]

-135.9

Description (Electrical Data)

Electrical conductivity

Electric Conductivity [S/cm]

7E-11

Temperature of Electric Conductivity [°C]

-170.9

Description (Electrical Data)

Electrical conductivity

90/296

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Electric Conductivity [S/cm]

7E-11

Temperature of Electric Conductivity [°C]

-186.4

Description (Electrical Data)

Electrical conductivity

Electric Conductivity [S/cm]

7E-11

Temperature of Electric Conductivity [°C]

-61.9

Description (Electrical Data)

Electrical conductivity

Electric Conductivity [S/cm]

8.6E-10

Temperature of Electric Conductivity [°C]

-135.9

Description (Electrical Data)

Electrical conductivity

Electric Conductivity [S/cm]

9.5E-08

Temperature of Electric Conductivity [°C]

-22.2

Description (Electrical Data)

Electrical conductivity

Electric Conductivity [S/cm]

9E-08

Temperature of Electric Conductivity [°C]

Comment (Electrical Da- anhydrous; Liquid ta) vol. C: MVol.D1; 15.8.7, page 193 - 199, View in Reaxys; Coates, J. E.; Taylor, E. G.; Journal of the Chemical Society; (1936); p. 1245 - 1256 ; (from Gmelin), View in Reaxys 38 of 49

Description (Electrical Data)

Electrical conductivity

Comment (Electrical Da- wss. Loesungen bei 18grad und 40grad unter Drucken von 500-3000 Kg/cmE2. ta) Tammann; Rohmann; Zeitschrift fuer Anorganische und Allgemeine Chemie; vol. 183; (1929); p. 7, View in Reaxys

91/296

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39 of 49

Description (Electrical Data)

Electrical conductivity

Comment (Electrical Da- gesaettigter Loesungen von KCl, Kaliumnitrat und KCN in fluessiger HCN bei 0grad. ta) Fredenhagen; Dahmlos; Zeitschrift fuer Physikalische Chemie, Stoechiometrie und Verwandtschaftslehre; vol. 128; (1927); p. 21, View in Reaxys; Fredenhagen; Dahmlos; Zeitschrift fuer Anorganische und Allgemeine Chemie; vol. 179; (1929); p. 85, View in Reaxys 40 of 49

Description (Electrical Data)

Electrical conductivity

Comment (Electrical Da- spezifische elektrische Leitfaehigkeit bei 0grad: 0.60*10E-6 rez. Ohm. ta) Fredenhagen; Dahmlos; Zeitschrift fuer Physikalische Chemie, Stoechiometrie und Verwandtschaftslehre; vol. 128; (1927); p. 21, View in Reaxys; Fredenhagen; Dahmlos; Zeitschrift fuer Anorganische und Allgemeine Chemie; vol. 179; (1929); p. 85, View in Reaxys 41 of 49

Description (Electrical Data)

Electrical conductivity

Electric Conductivity [S/cm]

6E-07

Temperature of Electric Conductivity [°C]

Comment (Electrical Da- Liquid ta) Fredenhagen, K.; Dahmlos, J.; Zeitschrift fuer Anorganische und Allgemeine Chemie; vol. 179; (1929); p. 77 - 88, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys 42 of 49

Description (Electrical Data)

Electrical conductivity

Comment (Electrical Da- spezifische elektrische Leitfaehigkeit bei 0grad: 0.46*10E-6 rez. Ohm; bei 22grad: ta) 1.1*10E-6 rez. Ohm. Bredig; Angewandte Chemie; vol. 36; (1923); p. 457, View in Reaxys 43 of 49

Description (Electrical Data)

Electrical conductivity

Comment (Electrical Da- spezifische elektrische Leitfaehigkeit des Gemisches mit 2 Mol Benzaldehyd bei 0grad. ta) Bredig; Angewandte Chemie; vol. 36; (1923); p. 457, View in Reaxys 44 of 49

Description (Electrical Data)

Electrical conductivity

Electric Conductivity [S/cm]

1.1E-06

Temperature of Electric Conductivity [°C]

Comment (Electrical Da- Liquid ta) Bredig, G.; Angewandte Chemie; vol. 36; (1923); p. 456 - 458, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 199 ; (from Gmelin), View in Reaxys 45 of 49

Description (Electrical Data)

Electrical conductivity

Electric Conductivity [S/cm]

4.6E-07

Temperature of Electric Conductivity [°C]

Comment (Electrical Da- Liquid ta)

92/296

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Bredig, G.; Angewandte Chemie; vol. 36; (1923); p. 456 - 458, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 199 ; (from Gmelin), View in Reaxys 46 of 49

Description (Electrical Data)

Electrical conductivity

Comment (Electrical Da- der reinsten fluessigen HCN bei 0grad <1.1*10E-7 rez. Ohm/cm. ta) Carvallo; Annales de Physique (Paris, France); vol. <9> 2; (1914); p. 217, View in Reaxys 47 of 49

Description (Electrical Data)

Electrical conductivity

Comment (Electrical Da- Leitfaehigkeit in verfluessigtem Chlorwasserstoff. ta) Steeele; McIntosh; Archibald; Zeitschrift fuer Physikalische Chemie, Stoechiometrie und Verwandtschaftslehre; vol. 55; (1906); p. 155, View in Reaxys 48 of 49

Description (Electrical Data)

Electrical conductivity

Electric Conductivity [S/cm]

4.07E-05

Temperature of Electric Conductivity [°C]

Kahlenberg, L.; Schlundt, H.; Journal of Physical Chemistry; vol. 6; (1902); p. 452 - 452, View in Reaxys; Kahlenberg, L.; Schlundt, H.; Journal of Physical Chemistry; vol. 6; (1902); p. 459 - 459, View in Reaxys; vol. Fe: MVol.B1; 129, page 290 - 292 ; (from Gmelin), View in Reaxys 49 of 49

Description (Electrical Data)

Electrical conductivity

Electric Conductivity [S/cm]

5E-06

Temperature of Electric Conductivity [°C]

Comment (Electrical Da- Liquid ta) vol. C: MVol.D1; 15.6, page 186 - 193, View in Reaxys; Jander, G.; Die Chemie in wasseraehnlichen Loesungsmitteln, Berlin - Goettingen - Heidelberg 1949, S. 122 ; (from Gmelin), View in Reaxys Electrical Moment (41) 1 of 41

Description (Electrical Moment)

Dipole moment

Moment (Electrical Moment) [D]

2.98519

Method (Electrical Moment)

Molecular beam electric resonance

Ebenstein, William L.; Muenter, J. S.; Journal of Chemical Physics; vol. 80; nb. 9; (1984); p. 3989 - 3991 ; (from Gmelin), View in Reaxys 2 of 41

Description (Electrical Moment)

Dipole moment

Moment (Electrical Moment) [D]

2.98519

Method (Electrical Moment)

IR spectroscopy

DeLeon, Robert L.; Muenter, J. S.; Journal of Chemical Physics; vol. 80; nb. 9; (1984); p. 3992 - 3999 ; (from Gmelin), View in Reaxys 3 of 41

Description (Electrical Moment)

Dipole moment

Comment (Electrical Moment)

Dipole moment derivatives data

93/296

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Gready et al.; Journal of Chemical Physics; vol. 70; (1979); p. 1071, View in Reaxys 4 of 41

Description (Electrical Moment)

Dipole moment

Comment (Electrical Moment)

Dipole moment derivatives

Bruns; de Barros Neto; Journal of Chemical Physics; vol. 68; (1978); p. 847, View in Reaxys; Hornig; Journal of Chemical Physics; vol. 68; (1978); p. 5668, View in Reaxys; Bassi; Journal of Chemical Physics; vol. 68; (1978); p. 5667, View in Reaxys 5 of 41

Description (Electrical Moment)

Dipole moment

Comment (Electrical Moment)

Dipole moment derivatives.

Liu et al.; Journal of Chemical Physics; vol. 69; (1978); p. 1425, View in Reaxys 6 of 41

Description (Electrical Moment)

Quadrupole moment

Comment (Electrical Moment)

molecular

Gustafson; Gordy; Journal of Chemical Physics; vol. 58; (1973); p. 5181, View in Reaxys 7 of 41

Description (Electrical Moment)

Dipole moment

Hehre et al.; Journal of Chemical Physics; vol. 53; (1970); p. 932, View in Reaxys; del Conde; Novaro; Tetrahedron; vol. 28; (1972); p. 1789,1791, View in Reaxys; RADFORD HE; KURTZ CF; Journal of Research of the National Bureau of Standards, Section A: Physics and Chemistry; vol. 74 A; nb. 6; (1970); p. 791 - 799, View in Reaxys; Weaver; Parry; Inorganic Chemistry; vol. 5; (1966); p. 703,708, View in Reaxys; Uyemura; Maeda; Bulletin of the Chemical Society of Japan; vol. 45; (1972); p. 1081, View in Reaxys; Bhattacharya; Gordy; Physical Review; vol. 119; (1960); p. 2 - 144, View in Reaxys; Cumper; Tetrahedron; vol. 25; (1969); p. 3131, View in Reaxys 8 of 41

Description (Electrical Moment)

Dipole moment

Comment (Electrical Moment)

S.334 nach Ref.1: A.L. McClelland 'Tables of Experimental Dipole Moments', W.H. Freeman, San Francisco, Calif., 1963

Gierke et al.; Journal of the American Chemical Society; vol. 94; (1972); p. 330,336, View in Reaxys 9 of 41

Description (Electrical Moment)

Bond moment

Comment (Electrical Moment)

S. 24

Gey et al.; Journal of Molecular Structure; vol. 3; (1969); p. 21, View in Reaxys 10 of 41

Description (Electrical Moment)

Bond moment

Comment (Electrical Moment)

Bindungsmoment, Bindungsdipolmoment, Tab. 5, 6

Thomas et al.; Journal of Molecular Structure; vol. 4; (1969); p. 179,189, View in Reaxys 11 of 41

Description (Electrical Moment)

Dipole moment

Comment (Electrical Moment)

(ε(i); Clathrat): 3.3D

Davies; Williams; Transactions of the Faraday Society; vol. 64; (1968); p. 529,543, View in Reaxys 12 of 41

Description (Electrical Moment)

Dipole moment

Comment (Electrical Moment)

3.00 D (a.d.Mikrowellenabs.)

Tyler; Sheridan; Transactions of the Faraday Society; vol. 59; (1963); p. 2661,2665, View in Reaxys

94/296

2018-01-18 00:45:07

13 of 41

Description (Electrical Moment)

Dipole moment

Moment (Electrical Moment) [D]

2.994 - 3.008

Method (Electrical Moment)

IR spectroscopy

vol. C: MVol.D1; 15.4.26, page 162 - 167, View in Reaxys; Maker, P. D.; Diss. Univ. of Michigan 1962; Diss. Abstr.; vol. 22; (1962); p. 2427 ; (from Gmelin), View in Reaxys 14 of 41

Description (Electrical Moment)

Dipole moment

Comment (Electrical Moment)

2.93D ; Tab.I,6.

Charton; Journal of Organic Chemistry; vol. 26; (1961); p. 735, View in Reaxys 15 of 41

Description (Electrical Moment)

Dipole moment

Moment (Electrical Moment) [D]

2.98

Method (Electrical Moment)

Stark effect

Bhattacharya; Gordy; Physical Review; vol. <2> 119; (1960); p. 144, View in Reaxys; Bhattacharya; Diss. Abstr.; vol. 19; (1958); p. 545, View in Reaxys 16 of 41

Description (Electrical Moment)

Quadrupole moment

Comment (Electrical Moment)

Quadrupol-Resonanz

Nagita et al.; Journal of Chemical Physics; vol. 32; (1960); p. 314, View in Reaxys 17 of 41

Description (Electrical Moment)

Quadrupole moment

Comment (Electrical Moment)

eQq

Bhattacharya; Gordy; Physical Review; vol. 119; (1960); p. 2 - 144, View in Reaxys 18 of 41

Description (Electrical Moment)

Dipole moment

Moment (Electrical Moment) [D]

2.98 - 2.99

Method (Electrical Moment)

Microwave spectroscopy

Bhattacharya, B. N.; Gordy, W.; Physical Review; vol. 119; (1960); p. 144 - 149, View in Reaxys; vol. C: MVol.D1; 15.4.26, page 162 - 167, View in Reaxys; Starck, B.; Molekelkonstanten aus mikrowellenspektroskopischen Messungen in: Landolt-Boernstein, Neue Serie, Gruppe II: Atom- und Molekularphysik, Bd. 4, Berlin - Heidelberg - New York 1967, S. 138 ; (from Gmelin), View in Reaxys 19 of 41

Description (Electrical Moment)

Dipole moment

Moment (Electrical Moment) [D]

Method (Electrical Moment)

Stark effect

Ghosh; Trambarulo; Gordy; Journal of Chemical Physics; vol. 21; (1953); p. 310, View in Reaxys 20 of 41

Description (Electrical Moment)

Dipole moment

Moment (Electrical Moment) [D]

2.98 - 3.02

95/296

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Method (Electrical Moment)

Microwave spectroscopy

Gnosh, S. N.; Trambarulo, R.; Gordy, W.; Journal of Chemical Physics; vol. 21; (1953); p. 308 - 310, View in Reaxys; vol. C: MVol.D1; 15.4.26, page 162 - 167 ; (from Gmelin), View in Reaxys 21 of 41

Description (Electrical Moment)

Bond moment

Hyde; Hornig; Journal of Chemical Physics; vol. 20; (1952); p. 647,651, View in Reaxys 22 of 41

Description (Electrical Moment)

Dipole moment

Moment (Electrical Moment) [D]

2.96

Method (Electrical Moment)

Stark effect

Shulman; Townes; Physical Review; vol. <2> 77; (1950); p. 421, View in Reaxys; Shulman; Townes; Physical Review; vol. <2> 78; (1950); p. 347, View in Reaxys 23 of 41

Description (Electrical Moment)

Dipole moment

Moment (Electrical Moment) [D]

2.932 - 2.982

Method (Electrical Moment)

Microwave spectroscopy

Schulman, R. G.; Townes, C. H.; Physical Review; vol. 77; (1950); p. 421 - 422, View in Reaxys; Schulman, R. G.; Townes, C. H.; Physical Review; vol. 78; (1950); p. 347, View in Reaxys; vol. C: MVol.D1; 15.4.26, page 162 - 167 ; (from Gmelin), View in Reaxys 24 of 41

Description (Electrical Moment)

Dipole moment

Moment (Electrical Moment) [D]

2.94

Method (Electrical Moment)

Dielectric constant, permittivity

vol. C: MVol.D1; 15.4.26, page 162 - 167, View in Reaxys; Breckenridge, R. G.; Jelatis, J. G.; Natl. Res. Council Div. Eng. Ind. Res. Ann. Rept. Conf. Elec. Insulation 1948 (1949), S. 99/101; C.A.; (1949); p. 5244 ; (from Gmelin), View in Reaxys 25 of 41

Description (Electrical Moment)

Dipole moment

Moment (Electrical Moment) [D]

2.94

Method (Electrical Moment)

Dielectric constant (ε)

Solvent (Electrical Moment)

neat (no solvent)

Breckenridge; Jelatis; Nation. Res. Coun. Conf. eletric Insulation; (1948); p. 99; Chem.Abstr.; (1949); p. 5244, View in Reaxys 26 of 41

Description (Electrical Moment)

Dipole moment

Moment (Electrical Moment) [D]

3.03

Method (Electrical Moment)

Dielectric constant (ε)

Solvent (Electrical Moment)

neat (no solvent)

Watson; Ramaswamy; Proceedings of the Royal Society of London, Series A: Mathematical, Physical and Engineering Sciences; vol. 156; (1936); p. 150, View in Reaxys

96/296

2018-01-18 00:45:07

27 of 41

Description (Electrical Moment)

Dipole moment

Moment (Electrical Moment) [D]

3.03

Method (Electrical Moment)

Dielectric constant, permittivity

Watson, H. E.; Ramaswamy, K. L.; Proc. Roy. Soc. (London); vol. 156; (1936); p. 130 - 143, View in Reaxys; vol. C: MVol.D1; 15.4.26, page 162 - 167 ; (from Gmelin), View in Reaxys 28 of 41

Description (Electrical Moment)

Dipole moment

Moment (Electrical Moment) [D]

2.93

Method (Electrical Moment)

Dielectric constant (ε)

Solvent (Electrical Moment)

neat (no solvent)

Smyth; McAlpine; Journal of the American Chemical Society; vol. 56; (1934); p. 1698, View in Reaxys 29 of 41

Description (Electrical Moment)

Dipole moment

Moment (Electrical Moment) [D]

2.922 - 2.942

Method (Electrical Moment)

Dielectric constant, permittivity

Smyth, C. P.; McAlpine, K. B.; Journal of the American Chemical Society; vol. 56; (1934); p. 1697 - 1700, View in Reaxys; vol. C: MVol.D1; 15.4.26, page 162 - 167 ; (from Gmelin), View in Reaxys 30 of 41

Description (Electrical Moment)

Dipole moment

Moment (Electrical Moment) [D]

2.54

Method (Electrical Moment)

Dielectric constant (ε)

Solvent (Electrical Moment)

benzene

Luetgert; Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie; vol. 14; (1931); p. 28, View in Reaxys 31 of 41

Description (Electrical Moment)

Dipole moment

Moment (Electrical Moment) [D]

2.6

Method (Electrical Moment)

Dielectric constant (ε)

Solvent (Electrical Moment)

xylene

Luetgert; Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie; vol. 14; (1931); p. 28, View in Reaxys 32 of 41

Description (Electrical Moment)

Dipole moment

Moment (Electrical Moment) [D]

2.88

Method (Electrical Moment)

Dielectric constant (ε)

Solvent (Electrical Moment)

neat (no solvent)

97/296

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Braune; Asche; Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie; vol. 14; (1931); p. 25, View in Reaxys 33 of 41

Description (Electrical Moment)

Dipole moment

Moment (Electrical Moment) [D]

2.53

Method (Electrical Moment)

other methods

Luetgert, H.; Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie; vol. 14; (1931); p. 27 - 30, View in Reaxys; vol. C: MVol.D1; 15.4.26, page 162 - 167 ; (from Gmelin), View in Reaxys 34 of 41

Description (Electrical Moment)

Dipole moment

Moment (Electrical Moment) [D]

2.6

Method (Electrical Moment)

other methods

Description (Electrical Moment)

Dipole moment

Moment (Electrical Moment) [D]

2.54

Method (Electrical Moment)

other methods

Description (Electrical Moment)

Dipole moment

Moment (Electrical Moment) [D]

2.59

Method (Electrical Moment)

other methods

Description (Electrical Moment)

Dipole moment

Moment (Electrical Moment) [D]

2.59

Solvent (Electrical Moment)

benzene

Werner; Ph. Ch. <B>; vol. 4; p. 380, View in Reaxys 38 of 41

Description (Electrical Moment)

Dipole moment

Moment (Electrical Moment) [D]

2.56

Method (Electrical Moment)

other methods

vol. C: MVol.D1; 15.4.26, page 162 - 167, View in Reaxys; McClellan; Moments, S. 39 ; (from Gmelin), View in Reaxys

98/296

2018-01-18 00:45:07

39 of 41

Description (Electrical Moment)

Dipole moment

Moment (Electrical Moment) [D]

2.61

Method (Electrical Moment)

other methods

vol. C: MVol.D1; 15.4.26, page 162 - 167, View in Reaxys; McClellan; Moments, S. 39 ; (from Gmelin), View in Reaxys 40 of 41

Description (Electrical Moment)

Dipole moment

Moment (Electrical Moment) [D]

2.95

Method (Electrical Moment)

not given

vol. C: MVol.D1; 15.4.26, page 162 - 167, View in Reaxys; McClellan; Moments, S. 39 ; (from Gmelin), View in Reaxys 41 of 41

Description (Electrical Moment)

Dipole moment

Moment (Electrical Moment) [D]

2.98

Method (Electrical Moment)

Microwave spectroscopy

vol. C: MVol.D1; 15.4.26, page 162 - 167, View in Reaxys; Nelson, R. D.; Lide, D. R.; Maryott, A. A.; NSRDSNBS-10 (1967) 1/49 ; (from Gmelin), View in Reaxys Electrical Polarizability (8) Description (Elec- Comment (Electri- References trical Polarizabili- cal Polarizability) ty) Polarizability

polarizability = 2.59E-24 ml

Miller, Kenneth J.; Journal of the American Chemical Society; vol. 112; nb. 23; (1990); p. 8533 - 8542, View in Reaxys; Stuart, H. A.; Ergeb. Exakten Naturwiss.; vol. 10; (1931); p. 159 - 206, View in Reaxys; vol. C: MVol.D1; 15.4.26, page 162 - 167, View in Reaxys; Landolt-Boernstein; Physikalisch-Chemische Tabellen, herausgegeben von W. A. Roth und K. Scheel, J. Springer, Berlin. 6. Aufl., Bd. 1, Tl. 3, 1951, S. 509/17, View in Reaxys; Stuart, H. A.; Landolt-Boernstein: Die Struktur der freien Molekuels, Berlin - Goettingen - Heidelberg 1952, S. 440 ; (from Gmelin), View in Reaxys

Polarizability

polarizability = 2.63E-24 ml

Miller, Kenneth J.; Journal of the American Chemical Society; vol. 112; nb. 23; (1990); p. 8533 - 8542 ; (from Gmelin), View in Reaxys

Polarizability

polarizability = 2.68E-24 ml

Miller, Kenneth J.; Journal of the American Chemical Society; vol. 112; nb. 23; (1990); p. 8543 - 8551 ; (from Gmelin), View in Reaxys

Molar polarization

Miller; Savchik; Journal of the American Chemical Society; vol. 101; (1979); p. 7206,7210, View in Reaxys

Polarizability

polarizability = 3.92E-24 ml

Stuart, H. A.; Ergeb. Exakten Naturwiss.; vol. 10; (1931); p. 159 - 206, View in Reaxys; vol. C: MVol.D1; 15.4.26, page 162 - 167, View in Reaxys; Landolt-Boernstein; Physikalisch-Chemische Tabellen, herausgegeben von W. A. Roth und K. Scheel, J. Springer, Berlin. 6. Aufl., Bd. 1, Tl. 3, 1951, S. 509/17, View in Reaxys; Stuart, H. A.; LandoltBoernstein: Die Struktur der freien Molekuels, Berlin - Goettingen - Heidelberg 1952, S. 440 ; (from Gmelin), View in Reaxys

Polarizability

polarizability = 1.92E-24 ml

Polarizability

polarizability = 2.58E-24 ml

vol. C: MVol.D1; 15.4.26, page 162 - 167, View in Reaxys; Wolf, K. L.; Briegleb, G.; Stuart, H. A.; Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementar-

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prozesse, Aufbau der Materie; vol. 6; (1929); p. 163 - 209 ; (from Gmelin), View in Reaxys Polarizability

polarizability = 3.89E-24 ml

Electrochemical Behaviour (13) Description (Elec- Comment (Electrochemical Betrochemical Behaviour) haviour)

vol. C: MVol.D1; 15.4.26, page 162 - 167, View in Reaxys; Wolf, K. L.; Briegleb, G.; Stuart, H. A.; Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie; vol. 6; (1929); p. 163 - 209 ; (from Gmelin), View in Reaxys References

acid / base behaviour

Tornieporth-Oetting, Inis C.; Klapoetke, Thomas M.; Chemische Berichte; vol. 125; nb. 2; (1992); p. 407 - 410, View in Reaxys; Burnett, Michael G.; Gilfillan, W. Matthew; Journal of the Chemical Society, Dalton Transactions: Inorganic Chemistry (1972-1999); (1981); p. 1578 - 1582, View in Reaxys; Bednar, Rodney A.; Jencks, William P.; Journal of the American Chemical Society; vol. 107; nb. 24; (1985); p. 7117 - 7126, View in Reaxys; Bednar, Rodney A.; Jencks, William P.; Journal of the American Chemical Society; vol. 107; nb. 24; (1985); p. 7135 - 7138, View in Reaxys; Spitz, R. N.; Barton, J. E.; Barteau, M. A.; Staley, R. H.; Sleight, A. W.; Journal of Physical Chemistry; vol. 90; nb. 17; (1986); p. 4067 - 4075, View in Reaxys; Koppel, Ilmar A.; Taft, Robert W.; Anvia, Frederick; Zhu, Shi-Zheng; Hu, Li-Quing; Sung, Kuang-Sen; DesMarteau, Darryl D.; Yagupolskii, Lev M.; Yagupolskii, Yurii L.; Ignat'ev, Nikolai V.; Kondratenko, Natal'ya V.; Volkonskii, Andrei Yu.; Vlasov, Vladislav M.; Notario, Rafael; Maria, Pierre-Charles; Journal of the American Chemical Society; vol. 116; nb. 7; (1994); p. 3047 - 3057, View in Reaxys; Solis, Jose S.; May, Peter M.; Hefter, Glenn; Australian Journal of Chemistry; vol. 49; nb. 6; (1996); p. 651 - 657, View in Reaxys; Brasch, Nicola E.; Cregan, Andrew G.; Vanselow, Mary E.; Journal of the Chemical Society, Dalton Transactions; nb. 7; (2002); p. 1287 - 1294, View in Reaxys; Ervin; DeTuri; Journal of Physical Chemistry A; vol. 106; nb. 42; (2002); p. 9947 - 9956, View in Reaxys; Almerindo, Gizelle I.; Tondo, Daniel W.; Pliego Jr., Josefredo R.; Journal of Physical Chemistry A; vol. 108; nb. 1; (2004); p. 166 - 171, View in Reaxys; Hudnall, Todd W.; Gabbai, Francois P.; Journal of the American Chemical Society; vol. 129; nb. 39; (2007); p. 11978 - 11986, View in Reaxys; Brauman, J. I.; Blair, L. K.; Journal of the American Chemical Society; vol. 90; (1968); p. 5636 - 5637, View in Reaxys; Hummel, D.; Janssen, O.; Zeitschrift fuer Physikalische Chemie (Muenchen); vol. 31; (1962); p. 111 - 139, View in Reaxys; Jander, G.; Gruettner, B.; Chemische Berichte; vol. 81; (1948); p. 102 - 106, View in Reaxys; vol. C: MVol.D1; 15.11.8, page 213 - 224, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193, View in Reaxys; vol. C: MVol.D1; 18.3, page 252 - 255, View in Reaxys; Jander, G.; Lafrenz, C.; Wasseraehnliche Loesungsmittel, Weinheim/bergstr. 1968, S.120/126, View in Reaxys; Gaspar, V.; Beck, M. T.; Acta Chimica Academiae Scientiarum Hungaricae; vol. 110; (1982); p. 425 - 428, View in Reaxys; Larson, J. W.; McMahon, T. B.; Journal of the American Chemical Society; vol. 106; (1984); p. 517 - 521, View in Reaxys; Monlien, Florence J.; Helm, Lothar; Abou-Hamdan, Amira; Merbach, Andre E.; Inorganic Chemistry; vol. 41; nb. 7; (2002); p. 1717 - 1727, View in Reaxys; Monlien, Florence J.; Helm, Lothar; Abou-Hamdan, Amira; Merbach, Andre E.; Inorganica Chimica Acta; vol. 331; nb. 1; (2002); p. 257 269, View in Reaxys; Angel, Laurence A.; Ervin, Kent M.; Journal of Physical Chemistry A; vol. 108; nb. 40; (2004); p. 8346 - 8352, View in Reaxys; Kurabayashi, B. M.; Yanagiya, K.; Kamakura, T.; Rept. Gov. Chem. Ind. Res. Inst. Tokyo; vol. 64; (1969); p. 49 - 56 ; (from Gmelin), View in Reaxys

Proton affinity

Haney; Franklin; Journal of Physical Chemistry; vol. 73; (1969); p. 4328, View in Reaxys; Rode; Engelbrecht; Monatshefte fuer Chemie; vol. 104; (1973); p. 893,897, 898, View in Reaxys; Thakur; Journal de Chimie Physique et de Physico-Chimie Biologique; vol. 75; (1978); p. 300,301, View in Reaxys; Jenkins et al.; Journal of Inorganic and Nuclear Chemistry; vol. 39; (1977); p. 213,219, View in Reaxys; Kreshkov; Revue Roumaine de Chimie; vol. 22; (1977); p. 1289,1292, View in Reaxys; Mackay; Bohme; International Journal of Mass Spectrometry and Ion Physics; vol. 26; (1978); p. 327,331, 333, 337, View in Reaxys; Freeman et al.; International Journal of Mass Spectrometry and Ion Physics; vol. 27; (1978); p. 77,78-81, View in Reaxys; Vogt; Beauchamp; Journal of the American Chemical Society; vol. 97; (1975); p. 6682, View in Reaxys

Electrochemical properties

Albery et al.; Faraday Discussions of the Chemical Society; vol. 56; (1974); p. 317,320, View in Reaxys

Electrolytic dissociation / protonation equilibrium

Ritchie; Uschold; Journal of the American Chemical Society; vol. 89; (1967); p. 1721,1723, View in Reaxys; Waisman; Lebowitz; Journal of Chemical Physics; vol. 52; (1970); p. 4307, View in Reaxys

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Thermodynamic parameters for dissociation / protonation

Machida; Overend; Journal of Chemical Physics; vol. 50; (1969); p. 4437,4438, View in Reaxys

Polarography

Masek; Dempir; Collection of Czechoslovak Chemical Communications; vol. 34; (1969); p. 727, View in Reaxys

Stability constant

Goolsby; Sawyer; Analytical Chemistry; vol. 40; (1968); p. 1978,1982, View in Reaxys

Acidity

Butin et al.; Journal of Organometallic Chemistry; vol. 10; (1967); p. 197,201, View in Reaxys

Electrolytic dissociation / protonation equilibrium

Geschwindigkeitskonstante in Wasser bei 5grad, 15grad und 25grad.

Tanaka; Murayama; Zeitschrift fuer Physikalische Chemie (Muenchen, Germany); vol. 21; (1959); p. 146, View in Reaxys

Acidity

Einfluss der Acidi- Pewsner; Zeitschrift fuer Physikalische Chemie, Stoechiometrie und Verwandtschafttaet auf die Adslehre; vol. 133; (1928); p. 126, View in Reaxys sorption aus wss. Loesungen an akt. Kohle bei 16 18grad.

Enthalpy of disso- . ciation (electrolytic) / protonation

v. Steinwehr; Zeitschrift fuer Physikalische Chemie, Stoechiometrie und Verwandtschaftslehre; vol. 38; (1901); p. 198, View in Reaxys

Electrolytic dissociation / protonation equilibrium

-Konstante 13*10E-10.

Walker; Cormack; Journal of the Chemical Society; vol. 77; (1900); p. 18,20, View in Reaxys

Enthalpy of neutralization

Waermetoenung beim Neutralisieren von Cyanwasserstoff durch Natron.

Berthelot; Jahresbericht ueber die Fortschritte der Chemie und Verwandter Theile Anderer Wissenschaften; (1871); p. 78, View in Reaxys; Thomsen; Jahresbericht ueber die Fortschritte der Chemie und Verwandter Theile Anderer Wissenschaften; (1871); p. 106, View in Reaxys; Thomsen; Jahresbericht ueber die Fortschritte der Chemie und Verwandter Theile Anderer Wissenschaften; (1870); p. 118,126, View in Reaxys; Thomsen; Jahresbericht ueber die Fortschritte der Chemie und Verwandter Theile Anderer Wissenschaften; (1869); p. 113, View in Reaxys

Electrochemical Characteristics (10) 1 of 10

Description (Electrochemical Characteristics)

potentiometry

Solvent (Electrochemical Characteristics)

water

Temperature (Electrochemical Characteristics) [°C]

Comment (Electrochem- transmitted electrons: 2; saturated silver chloride electrode; 0.1 M (HClO4, NaClO4); ical Characteristics) 0.6166 V - 0.6226 V Product

cyanogen iodide; hydrogen cation

Belevantsev, V. I.; Peshchevitskii, B. I.; Tsvelodub, L. D.; Russian Journal of Inorganic Chemistry (Translation of Zhurnal Neorganicheskoi Khimii); vol. 30; (1985); p. 1269 - 1272; Zhurnal Neorganicheskoi Khimii; vol. 30; (1985); p. 2231 - 2236 ; (from Gmelin), View in Reaxys 2 of 10

Description (Electrochemical Characteristics)

potentiometry

Solvent (Electrochemical Characteristics)

water

Temperature (Electrochemical Characteristics) [°C]

Comment (Electrochem- transmitted electrons: 2; saturated silver chloride electrode; 0.1 M (HClO4, NaClO4); ical Characteristics) 0.7066 V - 0.7266 V

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Product

ethanedinitrile; hydrogen cation

Description (Electrochemical Characteristics)

redox potential

Nord et al.; Inorganic Chemistry; vol. 17; (1978); p. 2233,2237, View in Reaxys 4 of 10

Description (Electrochemical Characteristics)

polarographic current/voltage curve

Tanaka; Murayama; Zeitschrift fuer Physikalische Chemie (Muenchen, Germany); vol. 11; (1957); p. 366,378, View in Reaxys; Sawyer et al.; Analytical Chemistry; vol. 31; (1959); p. 2,3, View in Reaxys; Jedlicka; Pasek; Cesko-Slovenska Farmacie; vol. 8; (1959); p. 138 - 142; Chem.Abstr.; (1960); p. 25346, View in Reaxys; Tanaka; Murayama; Zeitschrift fuer Physikalische Chemie (Muenchen, Germany); vol. 14; (1958); p. 370, View in Reaxys; Jura; Analytical Chemistry; vol. 26; (1954); p. 1121,1122, View in Reaxys; Breyer; Hacobian; Australian Journal of Scientific Research, Series A: Physical Sciences; vol. 4; (1951); p. 610,613, 614, View in Reaxys 5 of 10

Description (Electrochemical Characteristics)

Standard potential

Comment (Electrochem- transmitted electrons: 2; 0.625 V ical Characteristics) Product

cyanogen iodide; hydrogen cation

Bowersox, D. F.; Butler, E. A.; Swift, E. H.; Analytical Chemistry; vol. 28; (1956); p. 221 - 224, View in Reaxys; vol. C: MVol.D1; 15.11.11.7, page 224 - 242 ; (from Gmelin), View in Reaxys 6 of 10

Description (Electrochemical Characteristics)

Normal potential

Comment (Electrochem- transmitted electrons: 2; 0.63 V ical Characteristics) Product

cyanogen iodide; hydrogen cation

Gauguin, R.; Bulletin de la Societe Chimique de France; (1948); p. 1052 - 1056, View in Reaxys; vol. C: MVol.D1; 15.11.11.7, page 224 - 242 ; (from Gmelin), View in Reaxys 7 of 10

Description (Electrochemical Characteristics)

Normal potential

Comment (Electrochem- transmitted electrons: 2; 0.64 V ical Characteristics) Product

cyanogen iodide; hydrogen cation

Gauguin, R.; Bulletin de la Societe Chimique de France; (1948); p. 1052 - 1056, View in Reaxys; vol. C: MVol.D1; 15.11.11.7, page 224 - 242 ; (from Gmelin), View in Reaxys 8 of 10

Description (Electrochemical Characteristics)

Normal potential

Comment (Electrochem- transmitted electrons: 4; 0.67 V ical Characteristics) Product

cyanogen iodide; hydrogen cation

Gauguin, R.; Bulletin de la Societe Chimique de France; (1948); p. 1052 - 1056, View in Reaxys; vol. C: MVol.D1; 15.11.11.7, page 224 - 242 ; (from Gmelin), View in Reaxys 9 of 10

Description (Electrochemical Characteristics)

polarographic half-wave potential

Comment (Electrochem- Halbwellenpotential des Cyanid-Ions: -0.37 V. ical Characteristics)

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Erdey-Gruz; Szarvas; Zeitschrift fuer Physikalische Chemie, Abteilung A: Chemische Thermodynamik, Kinetik, Elektrochemie, Eigenschaftslehre; vol. 177; (1936); p. 282, View in Reaxys; Heyrovsky; Ilkovic; Collection of Czechoslovak Chemical Communications; vol. 7; (1935); p. 213, View in Reaxys 10 of 10

Description (Electrochemical Characteristics)

Normal potential

Temperature (Electrochemical Characteristics) [°C]

Comment (Electrochem- transmitted electrons: 2; normal hydrogen electrode; 0.37 V ical Characteristics) Product

ethanedinitrile; hydrogen cation

vol. C: MVol.B2; 90, page 743 - 745, View in Reaxys; Charlot, G.; Bezier, D.; Courtot, J.; Tables of Constants and Numerical Data Nr. 8, Selected Constants Oxydo-Reduction Potentials, New York - Paris - London - Los Angeles 1958, S. 8 ; (from Gmelin), View in Reaxys Electrochemistry Data (1) Electrochemical References Cell NH3,CH4,O2,HC Kiratzis; Stoukides; Journal of the Electrochemical Society; vol. 134; nb. 8; (1987); p. 1925 - 1929 ; (from N,CO,N2 (He car- Gmelin), View in Reaxys rier gas, Pt-Rh) / ZrO2 - 8percent Y2O3 / air (Pt) Electrolytic Conductivity (2) 1 of 2

Electrolytic Conductivity [S·l/(cm·mol)]

1.09E-05 - 1.54E-05

Temperature (Electrolytic Conductivity) [°C]

Solvent (Electrolytic Conductivity)

H2O

Kind of Conductivity

Molar conductivity

Comment (Electrolytic Conductivity)

depending on concn. of H2O

Tammann, G.; Rohmann, A.; Zeitschrift fuer Anorganische und Allgemeine Chemie; vol. 183; (1929); p. 1 - 29, View in Reaxys; vol. C: MVol.D1; 15.11.11.7, page 224 - 242 ; (from Gmelin), View in Reaxys 2 of 2

Electrolytic Conductivity [S·l/(cm·mol)]

1.68E-05 - 2.35E-05

Temperature (Electrolytic Conductivity) [°C]

Solvent (Electrolytic Conductivity)

H2O

Kind of Conductivity

Molar conductivity

Comment (Electrolytic Conductivity)

depending on concn. of H2O

Jonas, David M.; Solina, Stephani Ann B.; Zhao, Xinsheng; Field, Robert W.; Kittrell, Carter; Journal of Chemical Physics; vol. 96; nb. 10; (1992); p. 7209 - 7217, View in Reaxys; Meenakshi, A.; Innes, K. K.; Journal of Chemical Physics; vol. 84; nb. 12; (1986); p. 6550 - 6554, View in Reaxys; Meenakshi, A.; Innes, K. K.; Bickel, G. A.; Molecular Physics; vol. 68; (1989); p. 1179 - 1184, View in Reaxys; Herzberg, G.; Innes, K. K.; Canadian Journal of Physics; vol. 35; (1957); p. 842 - 879, View in Reaxys; Johns, J. C. W.; Canadian Journal of Physics; vol. 45; (1967); p. 2639 - 2650, View in Reaxys; Thorson, W. R.; Nakagawa, I.; Journal of Chemical Physics; vol. 33; (1960); p. 994 - 1004, View in Reaxys; Walsh, A. D.; Journal of the Chemical Society; (1953); p. 2288 - 2296, View in Reaxys; vol. C: MVol.D1; 15.4.26, page 162 - 167,

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View in Reaxys; Herzberg, G.; Molecular Spectra and Molecular Structure II. Infrared and Raman Spectra of Polyatomic Molecules, Toronto - New York - London 1945,S. 279, View in Reaxys; Herzberg, G.; Molecular Spectra and Molecular Structure II. Infrared and Raman Spectra of Polyatomic Molecules, Toronto - New York - London 1945,S. 384, View in Reaxys; Herzberg, G.; Molecular Spectra and Molecular Structure III. Electronic Spectra and Electronic Structure of Polyatomic Molecules, Princeton - Toronto - New York - London 1966, S. 588, View in Reaxys; Hsu, Yen-Chu; Smith, Mark A.; Wallace, Stephen C.; Chemical Physics Letters; vol. 111; (1984); p. 219 - 225, View in Reaxys; Arnold, Graham S.; Smith, Ian W. M.; Journal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics; vol. 77; (1981); p. 861 - 872, View in Reaxys; Eng, R.; Carrington, Tucker; Dugan, C. H.; Filseth, S. V.; Sadowski, C. M.; Chemical Physics; vol. 113; (1987); p. 119 - 130, View in Reaxys; Huang, Ruiping; Wu, Jisen; Gong, Meng-Xiong; Saury, Alain; Carrasquillo M., Edwin; Chemical Physics Letters; vol. 216; (1993); p. 108 - 114, View in Reaxys; Saury, Alain; Wu, Jisen; Carrasqillo M., Edwin; Journal of Molecular Spectroscopy; vol. 164; (1994); p. 416 - 424 ; (from Gmelin), View in Reaxys Potential equation Baggott, James E.; Caldow, Gordon L.; Mills, Ian M.; Journal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics; vol. 84; (1988); p. 1407 - 1422 ; (from Gmelin), View in Reaxys Potential diagram

Baggott, James E.; Caldow, Gordon L.; Mills, Ian M.; Journal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics; vol. 84; (1988); p. 1407 - 1422, View in Reaxys; Ross, S. C.; Bunker, P. R.; Journal of Molecular Spectroscopy; vol. 101; (1983); p. 199 - 211 ; (from Gmelin), View in Reaxys

Electron affinity

Del Bene; Journal of the American Chemical Society; vol. 99; (1977); p. 3617, View in Reaxys; Thakur; Journal de Chimie Physique et de Physico-Chimie Biologique; vol. 75; (1978); p. 300,301, View in Reaxys; Jenkins et al.; Journal of Inorganic and Nuclear Chemistry; vol. 39; (1977); p. 213,219, View in Reaxys; Garrett; Journal of Chemical Physics; vol. 71; (1979); p. 651, View in Reaxys; Liu; Journal of Chemical Physics; vol. 67; (1977); p. 373, View in Reaxys

Energy Barriers (1) References Saluja; Scheraga; Journal of Physical Chemistry; vol. 77; (1973); p. 2736, View in Reaxys; Taylor et al.; Journal of Chemical Physics; vol. 70; (1979); p. 4481, View in Reaxys; Macpherson; Simons; Journal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics; vol. 74; (1978); p. 1965,1967,1968,1971,1973, View in Reaxys; Smith; Overend; Journal of Chemical Physics; vol. 57; (1972); p. 523, View in Reaxys; Anderson; Journal of Chemical Physics; vol. 57; (1972); p. 4143, View in Reaxys; Atabek et al.; Chemical Physics Letters; vol. 45; (1977); p. 211, View in Reaxys Energy Data (MCS) (4) 1 of 4

Description (Energy Data (MCS))

Enthalpy of solution

Thakur; Journal de Chimie Physique et de Physico-Chimie Biologique; vol. 75; (1978); p. 300,301, View in Reaxys 2 of 4

Description (Energy Data (MCS))

Enthalpy of mixing

Collister; Pritchard; Canadian Journal of Chemistry; vol. 56; (1978); p. 2788, View in Reaxys 3 of 4

Description (Energy Data (MCS))

Enthalpy of solution

Solvent (Energy Data (MCS))

H2O

Horiuchi; Tanabe; J. Res. Inst. Catalysis Hokkaido Univ.; vol. 1; (1951); p. 117, View in Reaxys 4 of 4

Description (Energy Data (MCS))

Enthalpy of solution

Solvent (Energy Data (MCS))

acetone

Kagawa; Tsuchihara; Kogyo Kagaku Zasshi; vol. 53; (1950); p. 18; Chem.Abstr.; (1953); p. 2691, View in Reaxys Enthalpy of Combustion (2) Enthalpy of Com- Comment (Enbustion [Jmol-1] thalpy of Combustion)

References

-664106

fuer dampffoermi- Thomsen; Thermochemische Untersuchungen; vol. 4; p. 127, View in Reaxys; Thomgen HCN bei kon- sen; Thermochemische Untersuchungen; vol. 2; p. 389, View in Reaxys; Thomsen; stantem Druck. Zeitschrift fuer Physikalische Chemie, Stoechiometrie und Verwandtschaftslehre; vol. 52; (1905); p. 343; Thermochemische Untersuchungen; vol. 4; p. 104, View in Reaxys

-666953

fuer dampffoermi- Berthelot; Annales de Chimie (Cachan, France); vol. <5> 23; (1881); p. 256, gen HCN bei kon- View in Reaxys stantem Druck.

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Enthalpy of Formation (42) Enthalpy of ForTemperature (Enmation [Jmol-1] thalpy of Formation) [°C] -135100

Pressure (Enthalpy of Formation) [Torr]

Comment (Enthalpy of Formation)

24.85

References

Anicich, Vincent G.; Huntress, Wesley T.; McEwan, Murray J.; Journal of Physical Chemistry; vol. 90; nb. 11; (1986); p. 2446 - 2450 ; (from Gmelin), View in Reaxys Safrany; Jaster; Journal of Physical Chemistry; vol. 72; (1968); p. 3305, View in Reaxys; Berkowitz; Journal of Chemical Physics; vol. 36; (1962); p. 2533,2534, View in Reaxys; Thakur; Journal de Chimie Physique et de Physico-Chimie Biologique; vol. 75; (1978); p. 300,301, View in Reaxys; Boughton; Keller; Journal of Inorganic and Nuclear Chemistry; vol. 28; (1966); p. 2851,2858, View in Reaxys; Christensen et al.; Journal of the Chemical Society [Section] A: Inorganic, Physical, Theoretical; (1970); p. 454, View in Reaxys; Hartek; Reeves; Berichte der Bunsen-Gesellschaft; vol. 78; (1974); p. 168,172, View in Reaxys; Jenkins; Morris; Molecular Physics; vol. 33; (1977); p. 663, View in Reaxys; Jenkins et al.; Journal of Inorganic and Nuclear Chemistry; vol. 39; (1977); p. 213,219, View in Reaxys; Oka et al.; Bulletin of the Chemical Society of Japan; vol. 42; (1969); p. 3083,3084, View in Reaxys; Simmons et al.; Journal of Physical Chemistry; vol. 81; (1977); p. 709,710,711, View in Reaxys

121610

3727

760

Gaseous

Gordon; Journal of Chemical Physics; vol. 5; (1937); p. 30, View in Reaxys; vol. C: MVol.D1; 15.4, page 124 - 127, View in Reaxys; McBride, B. J.; Heimel, S.; Ehlers, J. G.; Gordon, S.; NASA-Sp-3001 (1963) 189; N.S.A.; vol. 17; (1963); p. 40775 ; (from Gmelin), View in Reaxys

123020

3227

760

Gaseous

124277

2727

760

Gaseous

125408

2227

760

Gaseous

126468

1727

760

Gaseous

127505

1227

760

Gaseous

Gordon; Journal of Chemical Physics; vol. 5; (1937); p. 30, View in Reaxys; vol. C: MVol.D1; 15.4, page 124 - 127, View in Reaxys; McBride, B. J.; Heimel, S.; Ehlers, J. G.; Gordon, S.;

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NASA-Sp-3001 (1963) 189; N.S.A.; vol. 17; (1963); p. 40775 ; (from Gmelin), View in Reaxys 128705

727

760

Gaseous

130149

227

760

Gaseous

130544

760

Gaseous

enthalpy table; Gaseous

Gordon; Journal of Chemical Physics; vol. 5; (1937); p. 30, View in Reaxys; Kobe, K. A.; Crawford, H. R.; Petrol. Refiner; vol. 37; nb. 7; (1958); p. 125 - 130, View in Reaxys; vol. C: MVol.D1; 15.4, page 124 - 127, View in Reaxys; Anonymous National Bureau of Standards; JANAF Thermochemical Tables, PB 168370 (1965), View in Reaxys; McBride, B. J.; Heimel, S.; Ehlers, J. G.; Gordon, S.; NASA-Sp-3001 (1963) 189; N.S.A.; vol. 17; (1963); p. 40775, View in Reaxys; Rossini, F. D.; Wagman, D. D.; Evans, W. H.; Levine, S.; Jaffe, I.; Natl. Bur. Std. (U.S.) Circ. Nr. 500 (1952) 110, View in Reaxys; Wicks, C. E.; Block, F. E.; U. S. Bur. Mines. Bull. Nr. 605 /1963) 56 ; (from Gmelin), View in Reaxys

128100

Sherwood, T. K.; Gilliland, E. R.; Ing, S. W.; Industrial and Engineering Chemistry; vol. 52; (1960); p. 601 - 604, View in Reaxys; vol. C: MVol.D1; 15.4.2.3, page 127 - 161 ; (from Gmelin), View in Reaxys

130670

-0.1

im idealen Gaszu- Kobe; Crawford; Petr. Refiner; vol. 37; nb. 7; stand. (1958); p. 125,128, View in Reaxys

128284

1226.9

im idealen Gaszu- Kobe; Crawford; Petr. Refiner; vol. 37; nb. 7; stand. (1958); p. 125,128, View in Reaxys

128240

1227

760

Gaseous

Kobe, K. A.; Crawford, H. R.; Petrol. Refiner; vol. 37; nb. 7; (1958); p. 125 - 130, View in Reaxys; vol. C: MVol.D1; 15.4, page 124 - 127 ; (from Gmelin), View in Reaxys

129080

727

760

Gaseous

Kobe, K. A.; Crawford, H. R.; Petrol. Refiner; vol. 37; nb. 7; (1958); p. 125 - 130, View in Reaxys; vol. C: MVol.D1; 15.4, page 124 - 127 ; (from Gmelin), View in Reaxys

130210

227

760

Gaseous

Kobe, K. A.; Crawford, H. R.; Petrol. Refiner; vol. 37; nb. 7; (1958); p. 125 - 130, View in Reaxys; vol. C: MVol.D1; 15.4, page 124 - 127 ; (from Gmelin), View in Reaxys

130590

760

Gaseous

Kobe, K. A.; Crawford, H. R.; Petrol. Refiner; vol. 37; nb. 7; (1958); p. 125 - 130, View in Reaxys; vol. C: MVol.D1; 15.4, page 124 - 127 ; (from Gmelin), View in Reaxys

106/296

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enthalpy equation; Gaseous

Kobe, K. A.; Crawford, H. R.; Petrol. Refiner; vol. 37; nb. 7; (1958); p. 125 - 130, View in Reaxys; vol. C: MVol.D1; 15.4, page 124 - 127, View in Reaxys; Rossini, F. D.; Wagman, D. D.; Evans, W. H.; Levine, S.; Jaffe, I.; Natl. Bur. Std. (U.S.) Circ. Nr. 500 (1952) 110, View in Reaxys; Wicks, C. E.; Block, F. E.; U. S. Bur. Mines. Bull. Nr. 605 /1963) 56 ; (from Gmelin), View in Reaxys

108910

760

vol. C: MVol.D1; 15.4, page 124 - 127, View in Reaxys; Wagman, D. D.; Evans, W. H.; Parker, V. B.; Halow, I.; Bailey, S. M.; Schumm, R. H.; Natl. Bur. Std. (U.S.) Tech. Note 270-3 (1968) 122 ; (from Gmelin), View in Reaxys

127160

1527

760

vol. C: MVol.D1; 15.4, page 124 - 127, View in Reaxys; Ribaud, M. G.; Publ. Sci. Tech. Min. Air (France) Nr. 266 (1952) 119 ; (from Gmelin), View in Reaxys

127867

1227

760

Gaseous

vol. C: MVol.D1; 15.4, page 124 - 127, View in Reaxys; Rossini, F. D.; Wagman, D. D.; Evans, W. H.; Levine, S.; Jaffe, I.; Natl. Bur. Std. (U.S.) Circ. Nr. 500 (1952) 110, View in Reaxys; Wicks, C. E.; Block, F. E.; U. S. Bur. Mines. Bull. Nr. 605 /1963) 56 ; (from Gmelin), View in Reaxys

128076

1727

760

Gaseous

128118

1727

760

Gaseous

vol. C: MVol.D1; 15.4, page 124 - 127, View in Reaxys; Anonymous National Bureau of Standards; JANAF Thermochemical Tables, PB 168370 (1965), View in Reaxys; Rossini, F. D.; Wagman, D. D.; Evans, W. H.; Levine, S.; Jaffe, I.; Natl. Bur. Std. (U.S.) Circ. Nr. 500 (1952) 110 ; (from Gmelin), View in Reaxys

128214

2227

760

Gaseous

128336

1227

760

Gaseous

128486

2727

760

Gaseous

128855

3227

760

Gaseous

vol. C: MVol.D1; 15.4, page 124 - 127, View in Reaxys; Anonymous National Bureau of Standards; JANAF Thermochemical Tables, PB 168370 (1965), View in Reaxys; Rossini, F.

107/296

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D.; Wagman, D. D.; Evans, W. H.; Levine, S.; Jaffe, I.; Natl. Bur. Std. (U.S.) Circ. Nr. 500 (1952) 110 ; (from Gmelin), View in Reaxys 128913

727

760

Gaseous

129052

727

760

Gaseous

129227

3727

760

Gaseous

129763

4727

760

Gaseous

129788

5727

760

Gaseous

130169

227

760

Gaseous

130232

227

760

Gaseous

130588

2227

760

Gaseous

130588

760

Gaseous

108/296

2018-01-18 00:45:07

(1952) 110, View in Reaxys; Wicks, C. E.; Block, F. E.; U. S. Bur. Mines. Bull. Nr. 605 / 1963) 56 ; (from Gmelin), View in Reaxys 130590

760

vol. C: MVol.D1; 15.4, page 124 - 127, View in Reaxys; Ribaud, M. G.; Publ. Sci. Tech. Min. Air (France) Nr. 266 (1952) 119 ; (from Gmelin), View in Reaxys

130600

25.01

760

Gaseous

vol. C: MVol.D1; 15.4, page 124 - 127, View in Reaxys; Anonymous National Bureau of Standards; JANAF Thermochemical Tables, PB 168370 (1965) ; (from Gmelin), View in Reaxys

135200

760

Gaseous

135570

-273.15

760

Gaseous

Enthalpy of Fusion (6) Enthalpy of FuReferences sion [Jmol-1] 8331.73

Lange; Berga; Monatshefte fuer Chemie; vol. 81; (1950); p. 921,929, View in Reaxys

8330

Lange, J.; Berga, J.; Monatshefte fuer Chemie; vol. 81; (1950); p. 921 - 938, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys

8411.28

Giauque; Ruehrwein; Journal of the American Chemical Society; vol. 61; (1939); p. 2626, View in Reaxys

8409

8410

Giauque; Ruehrwein; Journal of the American Chemical Society; vol. 61; (1939); p. 2626, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193, View in Reaxys; Auer, W.; in: Landolt-Boernstein Physikalisch-Chemische Tabellen, herausgegeben von W. A. Roth und K. Scheel, J. Springer, Berlin. 6. Aufl., Bd. 2, Tl. 4, 1961, S. 349 ; (from Gmelin), View in Reaxys Sinozaki; Hara; Technol. Rep. Tohoku Univ.; vol. 8; p. 330; Chem. Zentralbl.; vol. 100; nb. II; (1929); p. 2161, View in Reaxys; Hara; Sinozaki; Technol. Rep. Tohku Univ.; vol. 4; p. 41; Chem. Zentralbl.; vol. 96; nb. II; (1925); p. 1591, View in Reaxys

Enthalpy of Hydrogenation (1) References Jenkins; Morris; Molecular Physics; vol. 33; (1977); p. 663, View in Reaxys Enthalpy of Sublimation (2) Enthalpy of Subli- Temperature (En- References mation [Jmol-1] thalpy of Sublimation) [°C] 36550.7

-13.3

36540

Lange, J.; Berga, J.; Monatshefte fuer Chemie; vol. 81; (1950); p. 921 - 938, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys

Enthalpy of Vaporization (7) Enthalpy of VaTemperature (Enporization thalpy of Vapori[Jmol-1] zation) [°C] 25320 28219

Lange; Berga; Monatshefte fuer Chemie; vol. 81; (1950); p. 921,929, View in Reaxys

References

Chuyo, K.; Bulletin of the Chemical Society of Japan; vol. 30; (1957); p. 851 - 856, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys -13.3

Lange; Berga; Monatshefte fuer Chemie; vol. 81; (1950); p. 921,929, View in Reaxys

109/296

2018-01-18 00:45:07

28210 25233.8

Lange, J.; Berga, J.; Monatshefte fuer Chemie; vol. 81; (1950); p. 921 - 938, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys 25.6

25226

Giauque; Ruehrwein; Journal of the American Chemical Society; vol. 61; (1939); p. 2626, View in Reaxys Giauque; Ruehrwein; Journal of the American Chemical Society; vol. 61; (1939); p. 2626, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193, View in Reaxys; Ribaud, M. G.; Publ. Sci. Tech. Min. Air (France) Nr. 226 (1952) 119, View in Reaxys; Rossini; et al.; Natl. Bur. Std. (U.S.) Circ. Nr. 500 (1952) 594 ; (from Gmelin), View in Reaxys Sinozaki; Hara; Technol. Rep. Tohoku Univ.; vol. 8; p. 330; Chem. Zentralbl.; vol. 100; nb. II; (1929); p. 2161, View in Reaxys; Hara; Sinozaki; Technol. Rep. Tohku Univ.; vol. 4; p. 41; Chem. Zentralbl.; vol. 96; nb. II; (1925); p. 1591, View in Reaxys

25220

Flash Point (1) Temperature (Flash Point) [°C] -18

vol. C: MVol.D1; 15.6, page 186 - 193, View in Reaxys; Auer, W.; in: Landolt-Boernstein Physikalisch-Chemische Tabellen, herausgegeben von W. A. Roth und K. Scheel, J. Springer, Berlin. 6. Aufl., Bd. 2, Tl. 4, 1961, S. 349 ; (from Gmelin), View in Reaxys References Roedler, F.; Desinfektion Schaedlingsbekaempfung; vol. 41; (1949); p. 211 - 214; C.A.; (1952); p. 11564, View in Reaxys; vol. C: MVol.D1; 15.11.7.2, page 209 - 212 ; (from Gmelin), View in Reaxys

Further Information (524) Description (Fur- Additional Dether Information) scription

Comment (Further Information)

References

behaviour as inhibitor

Chmura, Andrzej; Rustler, Sven; Paravidino, Monica; Van Rantwijk, Fred; Stolz, Andreas; Sheldon, Roger A.; Tetrahedron Asymmetry; vol. 24; nb. 19; (2013); p. 1225 - 1232, View in Reaxys

Solvation / hydration

Almerindo, Gizelle I.; Tondo, Daniel W.; Pliego Jr., Josefredo R.; Journal of Physical Chemistry A; vol. 108; nb. 1; (2004); p. 166 171 ; (from Gmelin), View in Reaxys Health protection

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Solvation / hydration

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Behaviour as inhibitor

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Occurrence in nature

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Further information

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Further information

Lyubman et al.; J. Appl. Chem. USSR (Engl. Transl.); vol. 48; (1975); p. 2169,2241, View in Reaxys

Further information

Giordano; Bart; Recueil des Travaux Chimiques des Pays-Bas; vol. 94; (1975); p. 28, View in Reaxys

Further information

Rowe et al.; Journal of Chemical Physics; vol. 62; (1975); p. 4551, View in Reaxys

Further information

Ahmad; Sanyal; Indian Journal of Pure and Applied Physics; vol. 13; (1975); p. 671, View in Reaxys

Further information

Tokue; Kuchitsu; Chemical Physics Letters; vol. 36; (1975); p. 207,209, View in Reaxys

Further information

Band; Freed; Journal of Chemical Physics; vol. 63; (1975); p. 3382, View in Reaxys

Further information

McWilliams; Huzinaga; Journal of Chemical Physics; vol. 63; (1975); p. 4678,4684, View in Reaxys

Further information

Band; Freed; Journal of Chemical Physics; vol. 63; (1975); p. 4479, View in Reaxys

Further information

Wicke; Journal of Chemical Physics; vol. 63; (1975); p. 1035, View in Reaxys

Further information

Holwerda; Gray; Journal of the American Chemical Society; vol. 97; nb. 21; (1975); p. 6036 - 6041, View in Reaxys

Further information

Vol'khin et al.; J. Appl. Chem. USSR (Engl. Transl.); vol. 48; (1975); p. 54,52,55, View in Reaxys

Further information

Prins; Biloen; Chemical Physics Letters; vol. 30; (1975); p. 340, View in Reaxys

Further information

Korol; Kishko; Optics and Spectroscopy; vol. 38; (1975); p. 486; ; p. 848, View in Reaxys

Further information

Ismail et al.; Journal of Molecular Spectroscopy; vol. 54; (1975); p. 402,405, 406, View in Reaxys

Further information

Lyubchenko et al.; J. Appl. Chem. USSR (Engl. Transl.); vol. 48; (1975); p. 958,1008, View in Reaxys

Further information

Weinberg,N.L. et al.; Journal of the American Chemical Society; vol. 97; (1975); p. 1499 - 1504, View in Reaxys

Further information

Coffey; van Wazer; Journal of Chemical Physics; vol. 61; (1974); p. 85,90, View in Reaxys

Further information

Beletskaya et al.; Zhurnal Organicheskoi Khimii; vol. 10; (1974); p. 2009,2027,2029, View in Reaxys

Further information

Dultz; Solid State Communications; vol. 15; (1974); p. 595, View in Reaxys

Further information

Polak; Collection of Czechoslovak Chemical Communications; vol. 39; (1974); p. 2877,2887, View in Reaxys

Further information

Karakida et al.; Bulletin of the Chemical Society of Japan; vol. 47; (1974); p. 299,301, View in Reaxys

Further information

Riolo et al.; Annali di Chimica (Rome, Italy); vol. 64; (1974); p. 425, View in Reaxys

Further information

Erman; Biochemistry; vol. 13; (1974); p. 39,41, View in Reaxys

Further information

Schwenzer et al.; Journal of Chemical Physics; vol. 60; (1974); p. 2787, View in Reaxys

Further information

Simons; Journal of Chemical Physics; vol. 61; (1974); p. 369, View in Reaxys

Further information

Verter; Rabitz; Journal of Chemical Physics; vol. 61; (1974); p. 3707, View in Reaxys

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Further information

Galluzzi et al.; Journal of Raman Spectroscopy; vol. 2; (1974); p. 351,353, 356, View in Reaxys

Further information

Behar; Journal of Physical Chemistry; vol. 78; (1974); p. 2660, View in Reaxys

Further information

Rein et al.; Chemical Physics Letters; vol. 20; (1973); p. 71, View in Reaxys

Further information

Verter; Rabitz; Journal of Chemical Physics; vol. 59; (1973); p. 3816, View in Reaxys

Further information

Mueller et al.; Journal of Chemical Physics; vol. 59; (1973); p. 6112,6116, View in Reaxys

Further information

Haas; Shirley; Journal of Chemical Physics; vol. 58; (1973); p. 3339,3350, View in Reaxys

Further information

Wolski; Skzypczak; Zeitschrift fuer Chemie (Stuttgart, Germany); vol. 13; (1973); p. 95,96, 97, View in Reaxys

Further information

Johnson; Inorganic Chemistry; vol. 12; (1973); p. 780,783, View in Reaxys

Further information

Haussuehl; Solid State Communications; vol. 13; nb. 2; (1973); p. 147 - 151, View in Reaxys

Further information

Del Bene; Marchese; Journal of Chemical Physics; vol. 58; (1973); p. 926, View in Reaxys

Further information

O'Reilly; Journal of Chemical Physics; vol. 58; (1973); p. 3023, View in Reaxys

Further information

Cohen; Wilson; Journal of Chemical Physics; vol. 58; (1973); p. 442, View in Reaxys

Further information

Koster; Chemical Physics Letters; vol. 23; (1973); p. 18, View in Reaxys

Further information

Ram et al.; Spectroscopy Letters; vol. 6; (1973); p. 541, View in Reaxys

Further information

Ismail; Hauge; Margrave; Applied Spectroscopy; vol. 27; nb. 2; (1973); p. 93 - 94, View in Reaxys

Further information

Healy; Christen; Biochemical Journal; vol. 12; (1973); p. 35,36, 37, View in Reaxys

Further information

Tosi; Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy; vol. 29; (1973); p. 353, View in Reaxys

Further information

Harrison; Journal of the Chemical Society, Chemical Communications; (1972); p. 544, View in Reaxys

Further information

Evans; Andrews; Journal of the American Chemical Society; vol. 94; (1972); p. 3672, View in Reaxys

Further information

Balyanskii et al.; J. Appl. Chem. USSR (Engl. Transl.); vol. 45; (1972); p. 2152,2261, View in Reaxys

Further information

Scandola; Scandola; Journal of the American Chemical Society; vol. 94; (1972); p. 1805, View in Reaxys

Further information

Adams et al.; Journal of the Chemical Society, Chemical Communications; (1972); p. 751, View in Reaxys

Further information

Dyke et al.; Journal of Chemical Physics; vol. 57; (1972); p. 2277, View in Reaxys

Further information

Ismail et al.; Journal of Chemical Physics; vol. 57; (1972); p. 5137,5139, View in Reaxys

Further information

Prakash; Boggs; Journal of Chemical Physics; vol. 57; (1972); p. 2599, View in Reaxys

Further information

Paul et al.; Journal of Inorganic and Nuclear Chemistry; vol. 34; (1972); p. 2523,2525, View in Reaxys

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Further information

Karavan et al.; Zhurnal Organicheskoi Khimii; vol. 8; (1972); p. 2140,2185,2186, View in Reaxys

Further information

Price et al.; Journal of Chemical Physics; vol. 56; (1972); p. 3697, View in Reaxys

Further information

Christensen et al.; Thermochimica Acta; vol. 3; (1971); p. 203,211, View in Reaxys

Further information

Loew; Chang; Tetrahedron; vol. 27; (1971); p. 3069, View in Reaxys

Further information

Stelmaszynska; Zgliczynski; European journal of biochemistry / FEBS; vol. 19; nb. 1; (1971); p. 56 - 63, View in Reaxys

Further information

Yates; European Journal of Biochemistry; vol. 24; (1971); p. 437,350,351, View in Reaxys

Further information

Duewer et al.; Journal of Physical Chemistry; vol. 75; (1971); p. 727,732, View in Reaxys

Further information

Belyi et al.; Bulletin of the Academy of Sciences of the USSR, Physical Series (English Translation); vol. 35; (1971); p. 1285; ; p. 1406, View in Reaxys

Further information

Zehavi; Rabani; Journal of Physical Chemistry; vol. 75; (1971); p. 1738, View in Reaxys

Further information

Atoji; Journal of Chemical Physics; vol. 54; (1971); p. 3514, View in Reaxys

Further information

Owens et al.; Journal of Chemical Physics; vol. 54; (1971); p. 833, View in Reaxys

Further information

Ditchfield et al.; Journal of Chemical Physics; vol. 54; (1971); p. 724, View in Reaxys

Further information

Richter; Pistorius; Journal of Chemical Physics; vol. 54; (1971); p. 5436, View in Reaxys

Further information

Shirai; Takei; Yuki Gosei Kagaku Kyokaishi; vol. 29; (1971); p. 1135,1138, View in Reaxys

Further information

Payzant et al.; Canadian Journal of Chemistry; vol. 49; (1971); p. 3308,3310-3312, View in Reaxys

Further information

Herrmann; Chemical Physics Letters; vol. 11; (1971); p. 1, View in Reaxys

Further information

van Duijneveldt-van de Rijdt; van Duijne; Journal of the American Chemical Society; vol. 93; (1971); p. 5644,5650, View in Reaxys

Further information

Willson; Edwards; Journal of Chemical Physics; vol. 55; (1971); p. 5191, View in Reaxys

Further information

Oliver; Waters; Journal of the Chemical Society [Section] B: Physical Organic; (1971); p. 677,680, View in Reaxys

Further information

Duplessis-Legros; Emschwiller; Comptes Rendus des Seances de l'Academie des Sciences, Serie C: Sciences Chimiques; vol. 273; (1971); p. 452, View in Reaxys

Further information

McColm; Journal of Inorganic and Nuclear Chemistry; vol. 32; (1970); p. 1461,1462, View in Reaxys

Further information

Atanasov et al.; Izvestiya na Otdelenieto za Khimicheski Nauki (Bulgarska Akademiya na Naukite); vol. 3; (1970); p. 139,142,144-146,149,150, View in Reaxys

Further information

Newton et al.; Journal of Chemical Physics; vol. 53; (1970); p. 2645, View in Reaxys

Further information

Ritter; Krueger; Journal of the American Chemical Society; vol. 92; (1970); p. 2316, View in Reaxys

Further information

Fidler; Kralik; Collection of Czechoslovak Chemical Communications; vol. 35; (1970); p. 1913,1914, View in Reaxys

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Further information

Berschied; Purcell; Inorganic Chemistry; vol. 9; (1970); p. 628, View in Reaxys

Further information

Maciel et al.; Journal of the American Chemical Society; vol. 92; (1970); p. 11,14, View in Reaxys

Further information

Toth et al.; Journal of Chemical Physics; vol. 53; (1970); p. 4303,4306, View in Reaxys

Further information

Chan et al.; Journal of Physical Chemistry; vol. 74; (1970); p. 3160, View in Reaxys

Further information

Thomas; Thompson; Proceedings of the Royal Society of London, Series A: Mathematical, Physical and Engineering Sciences; vol. 316; (1970); p. 303,306,307,309, View in Reaxys

Further information

Ladd; Transactions of the Faraday Society; vol. 66; (1970); p. 1592, View in Reaxys

Further information

Perveev; Afonina; J. Gen. Chem. USSR (Engl. Transl.); vol. 40; (1970); p. 1096,1084,1085-1086, View in Reaxys

Further information

Hill et al.; Biochemical Journal; vol. 120; (1970); p. 263,266, View in Reaxys

Further information

Ripan et al.; Revue Roumaine de Chimie; vol. 15; (1970); p. 719,720, View in Reaxys

Further information

Mayer; Gutmann; Monatshefte fuer Chemie; vol. 101; (1970); p. 912,915, View in Reaxys

Further information

Tosi; Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy; vol. 26; (1970); p. 1675,1679-1693, View in Reaxys

Further information

Mou; Chen; Journal of the Chinese Chemical Society (Taipei, Taiwan); vol. 17; (1970); p. II-193,197, View in Reaxys

Further information

Kahry; Radiochimica Acta; vol. 14; (1970); p. 127, View in Reaxys

Further information

Maki; Yamamoto; Bulletin of the Chemical Society of Japan; vol. 43; (1970); p. 2450, View in Reaxys

Further information

Wade et al.; Inorganic Chemistry; vol. 9; (1970); p. 2146,2147,2149, View in Reaxys

Further information

Basu; Das; Inorganic Chemistry; vol. 9; (1970); p. 2781, View in Reaxys Economical data

Anonymous; Chemical and Engineering News; vol. 48; nb. 51; (1970); p. 22 - 24 ; (from Gmelin), View in Reaxys

Further information

Clark,V.M. et al.; Journal of the Chemical Society [Section] C: Organic; (1969); p. 74 - 79, View in Reaxys

Further information

Kaminskii et al.; Chemistry of Heterocyclic Compounds (New York, NY, United States); vol. 5; (1969); p. 138; Khimiya Geterotsiklicheskikh Soedinenii; vol. 5; (1969); p. 181, View in Reaxys

Further information

Lojko; Beers; Journal of Research of the National Bureau of Standards, Section A: Physics and Chemistry; vol. 73; (1969); p. 233,236, View in Reaxys

Further information

Bhatnagar; Zeitschrift fuer Anorganische und Allgemeine Chemie; vol. 370; (1969); p. 110, View in Reaxys

Further information

Hehre et al.; Journal of Chemical Physics; vol. 51; (1969); p. 2657,2660, View in Reaxys

Further information

Miller; Australian Journal of Chemistry; vol. 22; (1969); p. 2575,2577, View in Reaxys

Further information

Seel; Sheppard; Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy; vol. 25; (1969); p. 1295,1300, View in Reaxys

Further information

Clementi; Klint; Journal of Chemical Physics; vol. 50; (1969); p. 4899,4900, View in Reaxys

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Further information

Nachbaur; Monatshefte fuer Chemie; vol. 100; (1969); p. 1998,2003, View in Reaxys

Further information

Guetlich; Hasselbach; Angewandte Chemie; vol. 81; (1969); p. 627, View in Reaxys

Further information

Murphy; Boggs; Journal of Chemical Physics; vol. 50; (1969); p. 3320,3327, View in Reaxys

Further information

Machida; Overend; Journal of Chemical Physics; vol. 51; (1969); p. 2537, View in Reaxys

Further information

Bradley et al.; Transactions of the Faraday Society; vol. 65; (1969); p. 1920,1925, View in Reaxys

Further information

Johansson; Oestman; Acta Chemica Scandinavica (1947-1973); vol. 23; (1969); p. 2939,2947, View in Reaxys

Further information

Kuhry; Bulletin de la Societe Chimique de France; (1969); p. 2641, View in Reaxys

Further information

Clutter; Thompson; Journal of Chemical Physics; vol. 51; (1969); p. 153,155, View in Reaxys

Further information

Crow; Gosney; Australian Journal of Chemistry; vol. 22; (1969); p. 765,770, 771, View in Reaxys

Further information

Ahlijah; Mooney; Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy; vol. 25; (1969); p. 619, View in Reaxys

Further information

Stedman; Whincup; Journal of the Chemical Society [Section] A: Inorganic, Physical, Theoretical; (1969); p. 1145, View in Reaxys

Further information

Melikyan; Andreev; J. Appl. Chem. USSR (Engl. Transl.); vol. 42; (1969); p. 809,770, View in Reaxys

Further information

Kuz'minykh et al.; J. Appl. Chem. USSR (Engl. Transl.); vol. 42; (1969); p. 2006,1886, View in Reaxys

Further information

Jones; Margerum; Inorganic Chemistry; vol. 8; (1969); p. 1486, View in Reaxys

Further information

Cumper; Tetrahedron; vol. 25; (1969); p. 3131, View in Reaxys

Further information

Meehan et al.; Suomen Kemistilehti B; vol. 42; (1969); p. 159,161, View in Reaxys

Further information

Prokop et al.; Zeitschrift fuer Chemie (Stuttgart, Germany); vol. 9; (1969); p. 156, View in Reaxys

Further information

Okamoto et al.; Chemical and Pharmaceutical Bulletin; vol. 17; nb. 1; (1969); p. 140, View in Reaxys

Further information

Tommila; Airo; Suomen Kemistilehti B; vol. 42; (1969); p. 104, View in Reaxys

Further information

Rodig; Johnston; Journal of Organic Chemistry; vol. 34; (1969); p. 1949,1953, View in Reaxys

Polymerization

Kurabayashi, M.; Yanagiya, K.; Tokyo Kokyo Shikensho Hokoku; vol. 64; (1969); p. 68 - 77 ; (from Gmelin), View in Reaxys

Polymerization

Kurabayashi, M.; Yanagiya, K.; Tokyo Kokyo Shikensho Hokoku; vol. 64; (1969); p. 78 - 87 ; (from Gmelin), View in Reaxys

Polymerization

Kurabayashi, M.; Yanagiya, K.; Kamakura, T.; Tokyo Kokyo Shikensho Hokoku; vol. 64; (1969); p. 49 - 56 ; (from Gmelin), View in Reaxys

Polymerization

Koenig, H.; Allgem. Prakt. Chem.; vol. 20; (1969); p. 66 - 68 ; (from Gmelin), View in Reaxys

Polymerization

Yanagiya, K.; Kurabayashi, M.; Tokyo Kokyo Shikensho Hokoku; vol. 64; (1969); p. 88 - 90 ; (from Gmelin), View in Reaxys

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Polymerization

Kurabayashi, M.; Yanagiya, K.; Yasumoto, M.; Kamakura, T.; Tokyo Kogyo Shikensho Hokoku; vol. 64; (1969); p. 56 - 67 ; (from Gmelin), View in Reaxys

Polymerization

Kurabayashi, M.; Yanagiya, K.; Yasumoto, M.; Tokyo Kokyo Shikensho Hokoku; vol. 64; (1969); p. 78 - 87 ; (from Gmelin), View in Reaxys

Polymerization

Kurabayashi, M.; Yanagiya, K.; Rept. Govt. Chem. Ind. Res. Inst. Tokyo; vol. 64; (1969); p. 68 - 77 ; (from Gmelin), View in Reaxys

Further information

Leroux,Y.; Bulletin de la Societe Chimique de France; (1968); p. 352 - 358, View in Reaxys

Further information

Lindquist; Cordes; Journal of the American Chemical Society; vol. 90; (1968); p. 1269, View in Reaxys

Further information

Katz; Popp; Journal of Heterocyclic Chemistry; vol. 5; (1968); p. 249, View in Reaxys

Further information

Kutney; Chan; Failli; Fromson; Gletsos; Nelson; Journal of the American Chemical Society; vol. 90; nb. 14; (1968); p. 3891 - 3893, View in Reaxys

Further information

Davies; Williams; Transactions of the Faraday Society; vol. 64; (1968); p. 529,543, View in Reaxys

Further information

Popp et al.; Journal of Heterocyclic Chemistry; vol. 5; (1968); p. 879, View in Reaxys

Further information

Schrauzer,G.N.; Rabinowitz,H.N.; Journal of the American Chemical Society; vol. 90; (1968); p. 4297 - 4302, View in Reaxys

Further information

Safrany; Jaster; Journal of Physical Chemistry; vol. 72; (1968); p. 3323, View in Reaxys

Further information

Lees; Oka; Journal of Chemical Physics; vol. 49; (1968); p. 4234, View in Reaxys

Further information

LeBlanc; Journal of Chemical Physics; vol. 48; (1968); p. 1980, View in Reaxys

Further information

LeBlanc; Journal of Chemical Physics; vol. 48; (1968); p. 1841, View in Reaxys

Further information

Setser; Stedman; Journal of Chemical Physics; vol. 49; (1968); p. 467, View in Reaxys

Further information

Pistorius et al.; Journal of Chemical Physics; vol. 48; (1968); p. 5123,5127, View in Reaxys

Further information

O'Konski; Ha; Journal of Chemical Physics; vol. 49; (1968); p. 5354,5358, 5361, View in Reaxys

Further information

Fukushima; Journal of Chemical Physics; vol. 49; (1968); p. 4721, View in Reaxys

Further information

Hollander, Jack M.; Hendeickson, David N.; Jolly, William L.; The Journal of Chemical Physics; vol. 49; nb. 7; (1968); p. 3315 - 3316, View in Reaxys

Further information

White et al.; Transactions of the Faraday Society; vol. 64; (1968); p. 2841,2848, View in Reaxys

Further information

Pistorius; Boeyens; Journal of Chemical Physics; vol. 48; (1968); p. 1018, View in Reaxys

Further information

Dolman et al.; Biochemistry; vol. 7; (1968); p. 3991,3993, 3995, View in Reaxys

Further information

Root; Symons; Journal of the Chemical Society [Section] A: Inorganic, Physical, Theoretical; (1968); p. 21, View in Reaxys

Further information

Mason; Gray; Inorganic Chemistry; vol. 7; (1968); p. 55,58, View in Reaxys

Further information

Brown et al.; Inorganic Chemistry; vol. 7; (1968); p. 77,78,79,81-83, View in Reaxys

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Further information

Susuki et al.; Bulletin of the Chemical Society of Japan; vol. 41; (1968); p. 2663, View in Reaxys

Further information

Gupta; Naturwissenschaften; vol. 55; (1968); p. 442, View in Reaxys

Further information

Vercier; Journal of Labelled Compounds; vol. 4; (1968); p. 91,92, View in Reaxys

Further information

Sugisaki et al.; Bulletin of the Chemical Society of Japan; vol. 41; (1968); p. 1747,1748-1753, View in Reaxys

Further information

Berrett et al.; Journal of the Chemical Society [Section] A: Inorganic, Physical, Theoretical; (1968); p. 1575,1577, View in Reaxys

Further information

Dempir; Masek; Inorganica Chimica Acta; vol. 2; (1968); p. 402, View in Reaxys

Further information

Miller; Stirling; Journal of the Chemical Society [Section] C: Organic; (1968); p. 2612, View in Reaxys

Further information

Cudey; Bulletin de la Societe Chimique de France; (1968); p. 3177,3180,3183, View in Reaxys

Further information

Seyden-Penne; Loupy; Tetrahedron Letters; (1968); p. 6079, View in Reaxys

Further information

Momose et al.; Chemical and Pharmaceutical Bulletin; vol. 16; nb. 12; (1968); p. 2370, View in Reaxys

Further information

Kawamura et al.; Journal of Organic Chemistry; vol. 33; (1968); p. 1179, View in Reaxys

Further information

Geartner,V.R.; Journal of Organic Chemistry; vol. 33; nb. 2; (1968); p. 523 - 530, View in Reaxys

Further information

Krogmann; Binder; Journal of Organometallic Chemistry; vol. 11; (1968); p. P27, View in Reaxys

Further information

Kuhry; Adloff; Bulletin de la Societe Chimique de France; (1968); p. 2402, View in Reaxys

Further information

Takanashi; Tamura; Yoshino; Iidaka; Chemical and pharmaceutical bulletin; vol. 16; nb. 4; (1968); p. 758 - 759, View in Reaxys

Further information

Okamoto; Takahashi; Chemical and Pharmaceutical Bulletin; vol. 16; (1968); p. 1700, View in Reaxys

Further information

Troilo; Gambaretto; Annali di Chimica (Rome, Italy); vol. 58; (1968); p. 25,28, 30, View in Reaxys

Further information

Czuchajowski et al.; Roczniki Chemii; vol. 42; (1968); p. 869; Ann. Soc. Chim. Polonorum, View in Reaxys

Further information

Coskran,K.J. et al.; Journal of the American Chemical Society; vol. 90; (1968); p. 5437 - 5442, View in Reaxys

Polymerization

Kurabayashi, M.; Yanagiya, K.; Kogyo Kagaku Zasshi; vol. 71; (1968); p. 984 - 989; C. A.; vol. 69; (1968); p. 102677 ; (from Gmelin), View in Reaxys

Polymerization

Abelson, P. H.; Hare, P. E.; Carnegie Inst. Washington Year-Book 1965/66 358/60; C.A.; vol. 68; (1968); p. 17412 ; (from Gmelin), View in Reaxys

Polymerization

Ogura, H.; Bull. Chem. Soc. Japan.; vol. 41; (1968); p. 2871 - 2876 ; (from Gmelin), View in Reaxys

Polymerization

Ogura, H.; Bulletin of the Chemical Society of Japan; vol. 41; (1968); p. 2871 - 2876 ; (from Gmelin), View in Reaxys

Polymerization

Yanagiya, K.; Kurabayashi, M.; Kogyo Kagaku Zasshi; vol. 71; (1968); p. 1285 - 1286; C. A.; vol. 70; (1969); p. 38140 ; (from Gmelin), View in Reaxys

Further information

Pietra,S.; Casiraghi,G.; Gazzetta Chimica Italiana; vol. 97; (1967); p. 1826 - 1836, View in Reaxys

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Further information

Allgrove; Eisner; Tetrahedron Letters; (1967); p. 499, View in Reaxys

Further information

Anbar; Neta; International Journal of Applied Radiation and Isotopes; vol. 18; (1967); p. 493,520, View in Reaxys

Further information

Middleton,W.J.; Krespan,C.G.; Journal of Organic Chemistry; vol. 32; (1967); p. 951 - 953, View in Reaxys

Further information

Gregory; Bruice; Journal of the American Chemical Society; vol. 89; (1967); p. 2121,2123, View in Reaxys

Further information

Witanowski; Januszewski; Journal of the Chemical Society [Section] B: Physical Organic; (1967); p. 1062, View in Reaxys

Further information

Ronn; Wilson; Journal of Chemical Physics; vol. 46; (1967); p. 3262, View in Reaxys

Further information

Pietra; Casiraghi; Gazzetta Chimica Italiana; vol. 97; (1967); p. 1817, View in Reaxys

Further information

Zotova; Jasunskij; Zhurnal Organicheskoi Khimii; vol. 3; (1967); p. 1889,1843, View in Reaxys

Further information

Tice; Kivelson; Journal of Chemical Physics; vol. 46; (1967); p. 4743,4746, View in Reaxys

Further information

Matthews; Sangster; Journal of Physical Chemistry; vol. 71; (1967); p. 4587, View in Reaxys

Further information

Stamper; Trinajstic; Journal of the Chemical Society [Section] A: Inorganic, Physical, Theoretical; (1967); p. 782, View in Reaxys

Further information

Kroto; Santry; Journal of Chemical Physics; vol. 47; (1967); p. 2736,2741, View in Reaxys

Further information

Segal; Journal of Chemical Physics; vol. 47; (1967); p. 1876, View in Reaxys

Further information

Maki; Lide; Journal of Chemical Physics; vol. 47; (1967); p. 3206,3209, View in Reaxys

Further information

Lothian; Neubert; Journal of Chemical Physics; vol. 47; (1967); p. 3092, View in Reaxys

Further information

Topouzkhanian et al.; Journal de Chimie Physique et de PhysicoChimie Biologique; vol. 64; (1967); p. 506, View in Reaxys

Further information

Lerch; Chimia; vol. 21; (1967); p. 1,4, View in Reaxys

Further information

Bramley et al.; Journal of the Chemical Society [Section] A: Inorganic, Physical, Theoretical; (1967); p. 861, View in Reaxys

Further information

Yonezawa et al.; Bulletin of the Chemical Society of Japan; vol. 40; (1967); p. 536,539,541, View in Reaxys

Further information

Yonezawa et al.; Bulletin of the Chemical Society of Japan; vol. 40; (1967); p. 1071,1072,1076, View in Reaxys

Further information

Mueller-Litz; Hobert; Zeitschrift fuer Physikalische Chemie (Leipzig); vol. 236; (1967); p. 84, View in Reaxys

Further information

Schenk; Tulhoff; Berichte der Bunsen-Gesellschaft; vol. 71; (1967); p. 1155, View in Reaxys

Further information

Purcell; Journal of the American Chemical Society; vol. 89; (1967); p. 247, View in Reaxys

Further information

Purcell; Journal of the American Chemical Society; vol. 89; (1967); p. 6139, View in Reaxys

Further information

Chorkin et al.; Russian Journal of Physical Chemistry; vol. 41; (1967); p. 150; Zhurnal Fizicheskoi Khimii; vol. 41; (1967); p. 299, View in Reaxys

Further information

Wenkert et al.; Journal of Organic Chemistry; vol. 32; (1967); p. 3224, View in Reaxys

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Further information

Tosi; Comptes Rendus des Seances de l'Academie des Sciences, Serie B: Sciences Physiques; vol. 265; (1967); p. 1020, View in Reaxys

Further information

Valtr; Drahovska; Zeitschrift fuer Chemie (Stuttgart, Germany); vol. 7; (1967); p. 435, View in Reaxys

Further information

Bhat et al.; Inorganic and Nuclear Chemistry Letters; vol. 3; (1967); p. 409,414, View in Reaxys

Further information

Vickery; Chemistry and Industry (London, United Kingdom); (1967); p. 1523, View in Reaxys

Further information

Huchital; Wilkins; Inorganic Chemistry; vol. 6; (1967); p. 1022,1025, View in Reaxys

Further information

Klosa; Journal fuer Praktische Chemie (Leipzig); vol. 36; (1967); p. 311, View in Reaxys

Further information

Witanowski; Tetrahedron; vol. 23; (1967); p. 4299, View in Reaxys

Further information

Roesky; Chemische Berichte; vol. 100; (1967); p. 2147, View in Reaxys

Further information

Daeniker; Helvetica Chimica Acta; vol. 50; (1967); p. 2008, View in Reaxys

Polymerization

Serban, S.; Tomescu, I.; Revista de Chimie (Bucharest, Romania); vol. 18; (1967); p. 197 - 202; C.A.; vol. 67; (1967); p. 55655 ; (from Gmelin), View in Reaxys

Polymerization

Ogura, H. Kondo, M.; Bull. Chem. Soc. Japan.; vol. 40; (1967); p. 2448 - 2449; C.A.; vol. 67; (1967); p. 112729 ; (from Gmelin), View in Reaxys

Polymerization

Ogura, H.; J. Radiat. Res.; vol. 8; nb. 3/4; (1967); p. 93 - 99; C.A.; vol. 73; (1970); p. 50689 ; (from Gmelin), View in Reaxys

Polymerization

Kurabayashi, M.; Yanagiya, K.; Yasumoto, M.; Kamakura, T.; Kogyo Kagaku Zasshi; vol. 70; (1967); p. 1106 - 1111 ; (from Gmelin), View in Reaxys

Polymerization

Kurabayashi, M.; Yanagiya, K.; Kamakura, T.; Kogyo Kagaku Zasshi; vol. 70; (1967); p. 352 - 357 ; (from Gmelin), View in Reaxys

Further information

Wawzonek et al.; Journal of Organic Chemistry; vol. 31; (1966); p. 1004,1006, View in Reaxys

Further information

Collins et al.; Journal of Inorganic and Nuclear Chemistry; vol. 28; (1966); p. 1001, View in Reaxys

Further information

Newton et al.; Journal of the American Chemical Society; vol. 88; (1966); p. 2367,2371, 2380, View in Reaxys

Further information

Newton et al.; Journal of the American Chemical Society; vol. 88; (1966); p. 2353,2357, View in Reaxys

Further information

Palke; Lipscomb; Journal of the American Chemical Society; vol. 88; (1966); p. 2384, View in Reaxys

Further information

Aynsley et al.; Journal of the Chemical Society [Section] A: Inorganic, Physical, Theoretical; (1966); p. 1344, View in Reaxys

Further information

Geodakjan et al.; Russian Journal of Physical Chemistry; vol. 40; (1966); p. 857; Zhurnal Fizicheskoi Khimii; vol. 40; (1966); p. 1584, View in Reaxys

Further information

Dreyer; Dreyer; Zeitschrift fuer Physikalische Chemie (Leipzig); vol. 231; (1966); p. 315, View in Reaxys

Further information

Inoue; Journal de Chimie Physique et de Physico-Chimie Biologique; vol. 63; (1966); p. 1061, View in Reaxys

Further information

Morino; Nakagawa; Journal of Chemical Physics; vol. 44; (1966); p. 841, View in Reaxys

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Further information

Claxton et al.; Transactions of the Faraday Society; vol. 62; (1966); p. 2050,2051, View in Reaxys

Further information

Cromer et al.; Acta Crystallographica; vol. 20; (1966); p. 279,280, 282, View in Reaxys

Further information

Kent; Wagner; Journal of Chemical Physics; vol. 44; (1966); p. 3530, View in Reaxys

Further information

Smith. Jones; Journal of Chemical Physics; vol. 44; (1966); p. 3643, View in Reaxys

Further information

Dombrovskaya et al.; J. Appl. Chem. USSR (Engl. Transl.); vol. 39; (1966); p. 1230,1155,1156,1157, View in Reaxys

Further information

Moggi et al.; Journal of Inorganic and Nuclear Chemistry; vol. 28; (1966); p. 2589, View in Reaxys

Further information

Hollister,C.; Sinanoglu,O.; Journal of the American Chemical Society; vol. 88; (1966); p. 13 - 21, View in Reaxys

Polymerization

Sanchez; Ferris; Orgel; Science; vol. 153; nb. 731; (1966); p. 72 73 ; (from Gmelin), View in Reaxys

Polymerization

Ferris; Orgel; Journal of the American Chemical Society; vol. 88; (1966); p. 1074 ; (from Gmelin), View in Reaxys

Polymerization

Matthews, C. N.; Moser, R. E.; Proc. Natl. Acad. Sci. U. S.; vol. 56; (1966); p. 1087 - 1094 ; (from Gmelin), View in Reaxys

Further information

Vogel,G.; Journal of Organic Chemistry; vol. 30; (1965); p. 203 207, View in Reaxys

Further information

Clauson-Kaas et al.; Acta Chemica Scandinavica (1947-1973); vol. 19; (1965); p. 1147,1150, View in Reaxys

Further information

Marshall; Moelwyn-Hughes; Journal of the Chemical Society; (1965); p. 7119, View in Reaxys

Further information

Kern; Karplus; Journal of Chemical Physics; vol. 42; (1965); p. 1062, View in Reaxys

Further information

Indelli; Bartocci; Annali di Chimica (Rome, Italy); vol. 55; (1965); p. 92,95, View in Reaxys

Further information

Wroblowa et al.; Transactions of the Faraday Society; vol. 61; (1965); p. 1523, View in Reaxys

Further information

Sequeira; Acta Crystallographica; vol. 18; (1965); p. 291, View in Reaxys

Further information

Suga et al.; Bulletin of the Chemical Society of Japan; vol. 38; (1965); p. 1115, View in Reaxys

Further information

Beck; Feldl; Zeitschrift fuer Anorganische und Allgemeine Chemie; vol. 341; (1965); p. 113,114, View in Reaxys

Further information

Christensen et al.; Inorganic Chemistry; vol. 4; (1965); p. 1278,1279,1280, View in Reaxys

Further information

Akitt; Coleman; Journal of Applied Physics; vol. 36; (1965); p. 2004, View in Reaxys

Further information

Espenson; Birk; Journal of the American Chemical Society; vol. 87; (1965); p. 3280, View in Reaxys

Polymerization

Ferris; Orgel; Journal of the American Chemical Society; vol. 87; nb. 21; (1965); p. 4976 - 4977 ; (from Gmelin), View in Reaxys

Further information

Johns; DiPietro; Journal of Organic Chemistry; vol. 29; (1964); p. 1970, View in Reaxys

Further information

Ross; Smith; Journal of the American Chemical Society; vol. 86; (1964); p. 2861,2868, View in Reaxys

Further information

Allenstein,E.; Schmidt,A.; Chemische Berichte; vol. 97; (1964); p. 1863 - 1870, View in Reaxys

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Further information

Benson; Pohland; Journal of Organic Chemistry; vol. 29; (1964); p. 385,386, View in Reaxys

Further information

Dunken; Hobert; Zeitschrift fuer Chemie (Stuttgart, Germany); vol. 4; (1964); p. 275, View in Reaxys

Further information

McNeil et al.; Proceedings of the Chemical Society, London; (1964); p. 364, View in Reaxys

Further information

Adams et al.; Acta Crystallographica; vol. 17; (1964); p. 1449,1450, View in Reaxys

Further information

Cooper; Acta Crystallographica; vol. 17; (1964); p. 1452,1455, View in Reaxys

Further information

Beck; Gaizer; Acta Chimica Academiae Scientiarum Hungaricae; vol. 41; (1964); p. 423,424, View in Reaxys

Further information

Coogan; Gutowsky; Journal of Chemical Physics; vol. 40; (1964); p. 3419, View in Reaxys

Further information

Neubert; Susman; Journal of Chemical Physics; vol. 41; (1964); p. 722, View in Reaxys

Further information

Herbison-Evans; Richards; Molecular Physics; vol. 8; (1964); p. 19,26, View in Reaxys

Further information

Jullien; Lamaty; Tetrahedron Letters; (1964); p. 1023,1024, View in Reaxys

Further information

Narayanamurti; Physical Review Letters; vol. 13; (1964); p. 693, View in Reaxys

Further information

Bhatnagar; Cloutier; Chemistry and Industry (London, United Kingdom); (1964); p. 707, View in Reaxys

Further information

Ross,J.M.; Journal of the American Chemical Society; vol. 86; (1964); p. 2869 - 2874, View in Reaxys

Polymerization

Kozirovski; Folman; Transactions of the Faraday Society; vol. 60; (1964); p. 1532 ; (from Gmelin), View in Reaxys

Further information

Pichat et al.; Bulletin de la Societe Chimique de France; (1963); p. 1792, View in Reaxys

Further information

Kroehnke,F.; Steuernagel,H.H.; Chemische Berichte; vol. 96; (1963); p. 494 - 497, View in Reaxys

Further information

Pfeil; Hoffmann; Berichte der Bunsen-Gesellschaft; vol. 67; (1963); p. 229, View in Reaxys

Further information

Nowak; Journal of Organic Chemistry; vol. 28; (1963); p. 1182,1186, View in Reaxys

Further information

Radford; Broida; Journal of Chemical Physics; vol. 38; (1963); p. 644, View in Reaxys

Further information

Batsanov; Russian Journal of Physical Chemistry; vol. 37; (1963); p. 761; ; p. 1418, View in Reaxys

Further information

Syrkin; Russian Journal of Physical Chemistry; vol. 37; (1963); p. 764; ; p. 1422, View in Reaxys

Further information

Masthoff; Zeitschrift fuer Chemie (Stuttgart, Germany); vol. 3; (1963); p. 269, View in Reaxys

Further information

Emerson; Britton; Acta Crystallographica; vol. 16; (1963); p. 113,114, View in Reaxys

Further information

Halliwell; Nyburg; Transactions of the Faraday Society; vol. 59; (1963); p. 1126,1134, View in Reaxys

Further information

Stuehr et al.; Journal of Chemical Physics; vol. 38; (1963); p. 587, View in Reaxys

Further information

Lorenzelli; Delorme; Spectrochimica Acta; vol. 19; (1963); p. 2033,2037, View in Reaxys

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Further information

Jones; Spectrochimica Acta; vol. 19; (1963); p. 1675,1676, View in Reaxys

Further information

Heintz; Inorganic Syntheses; vol. VII; (1963); p. 142,143,145, View in Reaxys

Further information

Herzberg; Discussions of the Faraday Society; vol. 35; (1963); p. 7,16, View in Reaxys

Further information

Luettringhaus,A.; Dirksen,H.-W.; Angewandte Chemie; vol. 75; (1963); p. 1059 - 1068, View in Reaxys

Further information

Horner et al.; Justus Liebigs Annalen der Chemie; vol. 660; (1962); p. 1,21, View in Reaxys

Further information

GODE; MESNARD; COLLETER; ROY; Comptes rendus hebdomadaires des séances de l'Académie des sciences; vol. 254; (1962); p. 4057 - 4059, View in Reaxys

Further information

Bayes et al.; Journal of Chemical Physics; vol. 37; (1962); p. 1217, View in Reaxys

Further information

McLean; Journal of Chemical Physics; vol. 37; (1962); p. 627, View in Reaxys

Further information

Schneider; Freund; Analytical Chemistry; vol. 34; (1962); p. 69, View in Reaxys

Further information

Parry; Acta Crystallographica; vol. 15; (1962); p. 601,605, 606, View in Reaxys

Further information

Nast; Hoerl; Chemische Berichte; vol. 95; (1962); p. 1470,1472, 1474, View in Reaxys

Further information

Riccardi; Franzosini; Gazzetta Chimica Italiana; vol. 92; (1962); p. 386,389, 391, View in Reaxys

Further information

Watanabe et al.; Journal of Quantitative Spectroscopy and Radiative Transfer; vol. 2; (1962); p. 369,377, View in Reaxys

Further information

Jakowlew; Ukrainskii Khimicheskii Zhurnal (Russian Edition); vol. 28; (1962); p. 911,912, View in Reaxys

Polymerization

Hummel, D.; Janssen, O.; Zeitschrift fuer Physikalische Chemie (Muenchen); vol. 31; (1962); p. 111 - 139 ; (from Gmelin), View in Reaxys

Polymerization

Onoda, K.; Nippon Nogeikagaku Kaishi; vol. 36; (1962); p. 575 580; C.A.; vol. 61; (1964); p. 14157 ; (from Gmelin), View in Reaxys

Polymerization

Hummel, D.; Janssen, O.; Z. Physik. Chem (Frankfurt); vol. 31; (1962); p. 111 - 139 ; (from Gmelin), View in Reaxys

Polymerization

Patent; Gause, E. H.; Monsanto Chemical Co.; US3049408; (1962); C.A.; vol. 57; (1962); p. 16414 ; (from Gmelin), View in Reaxys

Further information

Swerdlow; Optika i Spektroskopiya; vol. 11; (1961); p. 25,26-40; Chem.Abstr.; nb. 26666; (1961), View in Reaxys

Further information

Illinger; Journal of Chemical Physics; vol. 35; (1961); p. 409,416, View in Reaxys

Further information

Aftandilian et al.; Journal of the American Chemical Society; vol. 83; (1961); p. 2471,2474, View in Reaxys

Further information

Kortuem; Reber; Zeitschrift fuer Elektrochemie; vol. 65; (1961); p. 809, View in Reaxys

Further information

Burstein; Ringold; Canadian Journal of Chemistry; vol. 39; (1961); p. 1848, View in Reaxys

Further information

Elliott; Hastings; Acta Crystallographica; vol. 14; (1961); p. 1018, View in Reaxys

Further information

Behrens et al.; Chemische Berichte; vol. 94; (1961); p. 1497,1503,1504, View in Reaxys

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Further information

Dahl; Schaeffer; Journal of the American Chemical Society; vol. 83; (1961); p. 3036, View in Reaxys

Further information

Gode; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 252; (1961); p. 2738,2739, 2740, View in Reaxys

Further information

Michailow; Izvestiya Sibirskogo Otdeleniya Akademii Nauk SSSR, Seriya Khimicheskikh Nauk; vol. 5; (1961); p. 51,52-58; Chem.Abstr.; nb. 26628; (1961), View in Reaxys

Further information

Pistorius; Journal of Inorganic and Nuclear Chemistry; vol. 19; (1961); p. 367,368, 369, View in Reaxys

Further information

Lodzinska; Racka; Roczniki Chemii; vol. 35; (1961); p. 1187,1188, View in Reaxys

Further information

Knight; Rink; Journal of Chemical Physics; vol. 35; (1961); p. 199, View in Reaxys

Further information

Schildknecht; Rauch; Z. Naturforsch., B: Anorg. Chem., Org. Chem., Biochem., Biophys.,; vol. 16; (1961); p. 301, View in Reaxys

Further information

Porter; Journal of Chemical Physics; vol. 35; (1961); p. 318,320, View in Reaxys

Further information

Leroi; Klemperer; Journal of Chemical Physics; vol. 35; (1961); p. 774, View in Reaxys

Further information

Sulzer; Waidelich; Zeitschrift fuer Naturforschung; vol. 16a; (1961); p. 885, View in Reaxys

Further information

Swain; Thornton; Tetrahedron Letters; (1961); p. 211, View in Reaxys

Polymerization

Fujise, S.; Nagai, N.; Numata, T.; Kogyo Kagaku Zasshi; vol. 64; (1961); p. 1889 - 1891; C.A.; vol. 57; (1962); p. 3077 ; (from Gmelin), View in Reaxys

Polymerization

Ruske, W.; Becker, M.; Jahns, H. J.; Z. Chem. (Leipzig); vol. 1; (1961); p. 271 - 274 ; (from Gmelin), View in Reaxys

Further information

Varsel et al.; Analytical Chemistry; vol. 32; (1960); p. 182,183, View in Reaxys

Further information

Okatowa et al.; Trudy - Gosudarstvennyi Institut Prikladnoi Khimii; vol. 45; (1960); p. 45,46-51; Chem.Abstr.; nb. 3100; (1962), View in Reaxys

Further information

Salua; Metal Finishing; vol. 58; nb. 5; (1960); p. 59; Chem.Abstr.; vol. 54; nb. 13944; (1960), View in Reaxys

Further information

Kratochvil; Collection of Czechoslovak Chemical Communications; vol. 25; (1960); p. 299, View in Reaxys

Further information

Griffon; Monier; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 250; (1960); p. 1677, View in Reaxys

Further information

Czakis; Roczniki Chemii; vol. 34; (1960); p. 729, View in Reaxys

Further information

Miller et al.; Spectrochimica Acta; vol. 16; (1960); p. 135,173, View in Reaxys

Further information

Monier; Griffon; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 250; (1960); p. 4011, View in Reaxys

Further information

Wasil'ew et al.; Zhurnal Fizicheskoi Khimii; vol. 34; (1960); p. 1763,1765; engl. Ausgabe; p. 840, View in Reaxys

Further information

Bacon; Irvin; Journal of the Chemical Society; (1960); p. 5079,5084, View in Reaxys

Further information

Jones; Runciman; Proceedings of the Physical Society, London; vol. 76; (1960); p. 996, View in Reaxys

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Polymerization

Gause, E. H.; Montgomery, P. D.; Journal of Chemical and Engineering Data; vol. 5; (1960); p. 351 - 354 ; (from Gmelin), View in Reaxys

Polymerization

Emeleus, H. J.; Wade, K.; Journal of the Chemical Society; (1960); p. 2614 - 2617 ; (from Gmelin), View in Reaxys

Polymerization

Voelker, T.; Angewandte Chemie; vol. 72; (1960); p. 379 - 384 ; (from Gmelin), View in Reaxys

Polymerization

Ruske, W.; Wiss. Z. Humboldt-Univ. Berlin Math. Naturw. Reihe; vol. 8; (1958); p. 557 - 572 ; (from Gmelin), View in Reaxys

Polymerization

Ruske, W.; Ruske, E.; Chemische Berichte; vol. 91; (1958); p. 2496 - 2504 ; (from Gmelin), View in Reaxys

Polymerization

Ruske, W.; Wiss. Z. Humboldt-Univ. Berlin Math.-Naturw. Reihe; vol. 8; (1958); p. 557 - 572 ; (from Gmelin), View in Reaxys

Further information

Schneider; Symp.Hydrogen Bonding Ljubliana; (1957); p. 55,58,60; Chem.Abstr.; nb. 19056; (1960), View in Reaxys

Polymerization

Marsh, J. D.; Martin, M. J.; J. Appl. Chem. (London); vol. 7; (1957); p. 205 - 209 ; (from Gmelin), View in Reaxys

Polymerization

Marsh, J. D. F.; Martin, M. J.; J. Appl. Chem (London); vol. 7; (1957); p. 205 - 209 ; (from Gmelin), View in Reaxys

Polymerization

Voelker, T.; Angewandte Chemie; vol. 69; (1957); p. 728 - 729 ; (from Gmelin), View in Reaxys

Polymerization

Nelson; Ramsay; Journal of Chemical Physics; vol. 25; (1956); p. 372 ; (from Gmelin), View in Reaxys

Polymerization

Aoyama, T.; J. Soc. High Pressure Gas Ind.; vol. 19; (1955); p. 121 135; C.A.; (1955); p. 16265 ; (from Gmelin), View in Reaxys

Polymerization

Aoyama, T.; J. Soc. High Pressure Gas Ind.; vol. 19; (1955); p. 176 182; C.A.; (1956); p. 5193 ; (from Gmelin), View in Reaxys

Polymerization

Aoyama, T.; J. Soc. High Pressure Gas Ind.; vol. 19; (1955); p. 209 217; C.A.; (1956); p. 5193 ; (from Gmelin), View in Reaxys

Polymerization

Varner, J. E.; Burrell, R. C.; Euclides (Madrid); vol. 15; (1955); p. 1 8 ; (from Gmelin), View in Reaxys

Polymerization

Sherwood, P. W.; Petrol. Process.; vol. 9; (1954); p. 384 - 389 ; (from Gmelin), View in Reaxys

Polymerization

Ruske, W.; Chem. Tech. (Berlin); vol. 6; (1954); p. 489 - 494 ; (from Gmelin), View in Reaxys

Polymerization

Sporzynski, A.; Slater, H. L.; Rec. Trav. Chim.; vol. 69; (1950); p. 619 - 637 ; (from Gmelin), View in Reaxys

Reaction with substance classes

title compound react with acid chloride to acid cyanide

Jander, G.; Scholz, G.; Zeitschrift fuer Physikalische Chemie, Abteilung A: Chemische Thermodynamik, Kinetik, Elektrochemie, Eigenschaftslehre; vol. 192; (1943); p. 163 - 210 ; (from Gmelin), View in Reaxys

Polymerization

Giauque; Ruehrwein; Journal of the American Chemical Society; vol. 61; (1939); p. 2626 ; (from Gmelin), View in Reaxys

Polymerization

Roberts; Thode; Urey; Journal of Chemical Physics; vol. 7; (1939); p. 137 ; (from Gmelin), View in Reaxys

Behaviour as inhibitor

Fischer, M.; Biochemische Zeitschrift; vol. 292; (1937); p. 271 - 275 ; (from Gmelin), View in Reaxys

Polymerization

Linstead, R. P.; Noble, E. G.; Wright, J. M.; Journal of the Chemical Society; (1937); p. 911 - 921 ; (from Gmelin), View in Reaxys

Polymerization

Carlisle, P. J.; Trans. Am. Inst. Chem. Eng.; vol. 29; (1933); p. 113 130 ; (from Gmelin), View in Reaxys

Polymerization

Pauer, F.; Monatshefte fuer Chemie; vol. 58; (1931); p. 1 - 11 ; (from Gmelin), View in Reaxys

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Polymerization

Pohland, E.; Zeitschrift fuer Anorganische und Allgemeine Chemie; vol. 201; (1931); p. 282 - 288 ; (from Gmelin), View in Reaxys

Behaviour as inhibitor

Fischer, F. G.; Wagner, C.; Ber.; vol. 59; (1926); p. 2384 - 2384 ; (from Gmelin), View in Reaxys

Behaviour as inhibitor

Warburg, O.; Biochemische Zeitschrift; vol. 174; (1926); p. 497 497 ; (from Gmelin), View in Reaxys

Behaviour as inhibitor

Toda; Biochemische Zeitschrift; vol. 171; (1926); p. 233 ; (from Gmelin), View in Reaxys

Behaviour as inhibitor

Wieland, H.; Fischer, F. G.; Ber.; vol. 59; (1926); p. 1171 - 1171 ; (from Gmelin), View in Reaxys

Behaviour as inhibitor

Warburg, O.; Ber.; vol. 59; (1926); p. 2705 - 2705 ; (from Gmelin), View in Reaxys

Polymerization

Woehler, L.; Roth, J. F.; Chemiker-Zeitung; vol. 50; (1926); p. 761 763 ; (from Gmelin), View in Reaxys

Polymerization

Lind, S. C.; Bardwel, D. C.; Journal of the American Chemical Society; vol. 48; (1926); p. 1575 - 1584 ; (from Gmelin), View in Reaxys

Polymerization

Lind, S. C.; Bardwel, D. C.; Science (Washington, DC, United States); vol. 63; (1926); p. 310 - 311 ; (from Gmelin), View in Reaxys

Polymerization

Lind, S. C.; Bardwel, D. C.; Perry, J. H.; Journal of the American Chemical Society; vol. 48; (1926); p. 1556 - 1575 ; (from Gmelin), View in Reaxys

Behaviour as inhibitor

Warburg, O.; Naturwissenschaften; vol. 13; (1925); p. 442 - 442 ; (from Gmelin), View in Reaxys

Polymerization

Walker, M.; Eldred, D. N.; Industrial and Engineering Chemistry; vol. 17; (1925); p. 1074 - 1081 ; (from Gmelin), View in Reaxys

Polymerization

Lind, S. C.; Bardwel, D. C.; Science (Washington, DC, United States); vol. 62; (1925); p. 422 - 424 ; (from Gmelin), View in Reaxys

Polymerization

Lind, S. C.; Bardwel, D. C.; Science (Washington, DC, United States); vol. 62; (1925); p. 593 - 594 ; (from Gmelin), View in Reaxys

Polymerization

Gray, G. P.; Hulbirt, E. R.; Bull. Agr. Exptl. Station Bull.; vol. 308; (1919); p. 408 - 428 ; (from Gmelin), View in Reaxys

Polymerization

Lewcock, W.; Pharmaceutical Journal; vol. 101; (1918); p. 50 - 51 ; (from Gmelin), View in Reaxys

Behaviour as inhibitor

Berceller, L.; Internat. Z. phys.-ch. Biol.; vol. 2; (1916); p. 446 - 446 ; (from Gmelin), View in Reaxys

Polymerization

Salomone, G.; Gazzetta Chimica Italiana; vol. 42; (1912); p. 617 622 ; (from Gmelin), View in Reaxys

Behaviour as catalyst

Brossa, G. A.; Z. phys. Ch.; vol. 66; (1909); p. 162 - 180 ; (from Gmelin), View in Reaxys

Polymerization

Pollacci, E.; Bollettino Chimico Farmaceutico; vol. 46; (1907); p. 237 - 244; C. I; (1907); p. 1403 ; (from Gmelin), View in Reaxys

Behaviour as inhibitor

Bredig, G.; Fortner, M.; Ber.; vol. 37; (1904); p. 798 - 810 ; (from Gmelin), View in Reaxys

Behaviour as inhibitor

Meyer, E. v.; Journal fuer Praktische Chemie (Leipzig); vol. 36; (1887); p. 292 - 292 ; (from Gmelin), View in Reaxys

Behaviour as inhibitor

Meyer, E. v.; Journal fuer Praktische Chemie (Leipzig); vol. 36; (1887); p. 293 - 293 ; (from Gmelin), View in Reaxys

Polymerization

Lescoeur, H.; Rigaut, A.; Bull. Soc. Chim. France (2); vol. 34; (1880); p. 472 - 473 ; (from Gmelin), View in Reaxys

Polymerization

Lescoeur, H.; Rigaut, A.; Ber. Dtsch. Chem. Ges.; vol. 12; (1879); p. 2126 - 2163 ; (from Gmelin), View in Reaxys

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2018-01-18 00:45:07

Polymerization

Lescoeur, H.; Rigaut, A.; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 89; (1879); p. 310 - 312 ; (from Gmelin), View in Reaxys

Polymerization

Lange, O.; Ber. Dtsch. Chem. Ges.; vol. 6; (1873); p. 99 - 101 ; (from Gmelin), View in Reaxys

Behaviour as inhibitor

Millon, E.; Journal de Pharmacie et de Chimie; vol. 6; (1845); p. 171 - 171 ; (from Gmelin), View in Reaxys

Behaviour as inhibitor

Millon, E.; Ann. Chim. Phys.; vol. 13; (1845); p. 37 - 37 ; (from Gmelin), View in Reaxys

Behaviour as inhibitor

Millon, E.; Ann. Chim. Phys.; vol. 13; (1845); p. 36 - 36 ; (from Gmelin), View in Reaxys

Behaviour as inhibitor

Millon, E.; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 19; (1844); p. 273 - 273 ; (from Gmelin), View in Reaxys

Behaviour as inhibitor

Davy, H.; Philosophical Transactions of the Royal Society of London; vol. 105; (1815); p. 208 - 208 ; (from Gmelin), View in Reaxys

Behaviour as inhibitor

Davy, H.; Annales de Chimie (Cachan, France); vol. 96; (1815); p. 298 - 298 ; (from Gmelin), View in Reaxys

Behaviour as catalyst

vol. O: MVol.7; 100, page 2420 - 2422 ; (from Gmelin), View in Reaxys

Behaviour as inhibitor

vol. O: MVol.7; 99, page 2399 - 2420 ; (from Gmelin), View in Reaxys

Behaviour as inhibitor

vol. O: MVol.7; 118, page 2465 - 2468 ; (from Gmelin), View in Reaxys

Behaviour as inhibitor

vol. I: MVol.2; 119, page 501 - 504 ; (from Gmelin), View in Reaxys

Behaviour as inhibitor

vol. I: MVol.2; 155, page 590 - 592 ; (from Gmelin), View in Reaxys

Behaviour as inhibitor

vol. I: MVol.2; 144, page 567 - 569 ; (from Gmelin), View in Reaxys

Reaction with substance classes

title compound re- vol. C: MVol.D1; 15.11.11.7, page 224 - 242 ; (from Gmelin), act with acid View in Reaxys chloride to acid cyanide

Reaction with substance classes

title compound re- Jander, G.; Die Chemie in wasseraehnlichen Loesungsmitteln, Beract with acid lin- Goettingen- Heidelberg 1949, S.120-169 ; (from Gmelin), chloride to acid View in Reaxys cyanide

Reaction with substance classes

title compound re- Jander, G.; Lafrenz, C.; Wasseraehnliche Loesungsmittel, Weinact with acid heim/Bergstr. 1968, S.120-126 ; (from Gmelin), View in Reaxys chloride to acid cyanide

Reaction with substance classes

title compound re- Audietrh, L. F.; Kleinberg, J.; Non-Aqueous Solvents, New Yorkact with acid London 1953, S.135/40 ; (from Gmelin), View in Reaxys chloride to acid cyanide Economical data

Sperka, G.; Tennstedt, K.; Weitbrecht, G.; laut K. J. Mundo in: K. Winnacker, L. Kuechler, 3. Aufl., Bd. 1, 1970, S. 694/5 ; (from Gmelin), View in Reaxys

Economical data

Montgomery, P. D.; in: Encyclopedia of Chemical Technology, herausgegeben von R. E. Kirk, D. F. Othmer. The Intersience Encyclopedia, Inc., New York, 2. Aufl., Bd.6, 1965, S. 583 ; (from Gmelin), View in Reaxys

Economical data

vol. C: MVol.D1; 13.2, page 117 - 120 ; (from Gmelin), View in Reaxys

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2018-01-18 00:45:07

Economical data

Schwarz, G.; in: Ullmann (Foerst) Enzyklopaedie der technischen Chemie, 3. Aufl., Erg.-Bd., Urban et Schwarzenberg, Berlin-Wien 1970, S. 483 ; (from Gmelin), View in Reaxys

Polymerization

vol. C: MVol.D1; 15.11.3, page 206 - 209 ; (from Gmelin), View in Reaxys

Polymerization

vol. C: MVol.D1; 15.11.8, page 213 - 224 ; (from Gmelin), View in Reaxys

Polymerization

vol. C: MVol.D1; 15.11.11.7, page 224 - 242 ; (from Gmelin), View in Reaxys

Polymerization

vol. C: MVol.D1; 15.11.1.1, page 199 - 206 ; (from Gmelin), View in Reaxys

Polymerization

Ullmann, F.; Enzyklopaedie der technischen Chemie, 3. Aufl., Bd. 5, 1954, S. 629 ; (from Gmelin), View in Reaxys

Polymerization

Hustedt, H. H.; Diss. Marburg/Lahn 1957 ; (from Gmelin), View in Reaxys

Polymerization

Wenzel, F.; laut T. Voelker, Angew. Chem. 72 (1960) 382 ; (from Gmelin), View in Reaxys

Gas Phase (2) Description (Gas Phase)

Health protection

vol. C: MVol.D1; 15.11.8, page 213 - 224 ; (from Gmelin), View in Reaxys

Health protection

Jander, G.; Die Chemie in wasseraehnlichen Loesungsmitteln, Berlin-Goettingen-Heidelberg 1949, S.120/69 ; (from Gmelin), View in Reaxys

Health protection

Jander, G.; Lafrenz, C.; Wasseraehnliche Loesungsmittel, Weinheim/bergstr. 1968, S.120/126 ; (from Gmelin), View in Reaxys

Health protection

Audrieth, L. F.; Kleinberg, J.; Non-Aqueous Solvents, New YorkLondon 1953, p.135/40 ; (from Gmelin), View in Reaxys

Comment (Gas Phase)

References

Association in the gas phase

Gasfoermiger Dagg; Thompson; Transactions of the Faraday Society; vol. 52; (1956); p. 455, HCN ist nach View in Reaxys; Hyde; Hornig; Journal of Chemical Physics; vol. 20; (1952); p. 647,651, Ausweis des IRView in Reaxys Spektrums teilweise binaer assoziiert.

Association in the gas phase

Gasfoermiger Giauque; Ruehrwein; Journal of the American Chemical Society; vol. 61; (1939); p. HCN ist bei 2626, View in Reaxys; Felsing; Drake; Journal of the American Chemical Society; vol. Raumtemperatur 58; (1936); p. 1716, View in Reaxys teilweise assoziiert (aus Dichtemessungen ermittelt).

Heat Capacity Cp (82) Heat Capacity Cp Temperature [Jmol-1K-1] (Heat Capacity Cp) [°C]

Comment (Heat Capacity Cp)

References

44.073

Gaseous

Senftleben, H.; Zeitschrift fuer Angewandte Physik; vol. 17; (1964); p. 86 - 87, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys

44.11

Gaseous

Senftleben, H.; Zeitschrift fuer Angewandte Physik; vol. 17; (1964); p. 86 - 87, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys

45.09

Gaseous

Senftleben, H.; Zeitschrift fuer Angewandte Physik; vol. 17; (1964); p. 86 - 87, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys

45.13

Gaseous

Senftleben, H.; Zeitschrift fuer Angewandte Physik; vol. 17; (1964); p. 86 - 87, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys

131/296

2018-01-18 00:45:07

47.012

100

Gaseous

Senftleben, H.; Zeitschrift fuer Angewandte Physik; vol. 17; (1964); p. 86 - 87, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys

47.06

100

Gaseous

Senftleben, H.; Zeitschrift fuer Angewandte Physik; vol. 17; (1964); p. 86 - 87, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys

50.515

150

Gaseous

Senftleben, H.; Zeitschrift fuer Angewandte Physik; vol. 17; (1964); p. 86 - 87, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys

50.56

150

Gaseous

Senftleben, H.; Zeitschrift fuer Angewandte Physik; vol. 17; (1964); p. 86 - 87, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys

53.39

200

Gaseous

Senftleben, H.; Zeitschrift fuer Angewandte Physik; vol. 17; (1964); p. 86 - 87, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys

53.466

200

Gaseous

Senftleben, H.; Zeitschrift fuer Angewandte Physik; vol. 17; (1964); p. 86 - 87, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys

Cp table; Gaseous

Rank, D. H.; Skorinko, G.; Eastman, D. P.; Wiggins, T. A.; Journal of the Optical Society of America; vol. 50; (1960); p. 421 - 432, View in Reaxys; Senftleben, H.; Zeitschrift fuer Angewandte Physik; vol. 17; (1964); p. 86 - 87, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys

Cp equation; Gaseous

Kobe, K. A.; Long, E. G.; Petroleum Refiner; vol. 29; nb. 5; (1950); p. 89 - 92, View in Reaxys; Kelley, K. K.; U.S. Bur. Mines Bull. Nr. 476 (1949) 80/1, View in Reaxys; Wicks, C. E.; Block, F. E.; U.S. Bur. Mines. Bull. Nr. 605 (1963) 56, View in Reaxys; Williams, M. M.; AD 255963 (1961) 7; C.A.; vol. 58; (1963); p. 7437 ; (from Gmelin), View in Reaxys

Cp table; Gaseous

Bredig, G.; Teichmann, L.; Zeitschrift fuer Elektrochemie; vol. 31; (1925); p. 449 - 453, View in Reaxys; Anonymous National Bureau of Standards; JANAF Themochemical Tables PB 168 370 (1965), View in Reaxys; Herzberg, G.; Infrared and Raman Spectra of Polyatomic Molecules, New York 1945, S. 280, View in Reaxys; McBride, B. J.; Heimel, S.; Ehlers, J. G.; Gordon, S.; NASA-SP-3001 (1963) 189; N.S.A.; vol. 17; (1963); p. 40775 ; (from Gmelin), View in Reaxys

29.1759

-173

Gaseous

vol. C: MVol.D1; 15.8.7, page 193 - 199, View in Reaxys; McBride, B. J.; Heimel, S.; Ehlers, J. G.; Gordon, S.; NASA-SP-3001 (1963) 189; N.S.A.; vol. 17; (1963); p. 40775 ; (from Gmelin), View in Reaxys

31.7294

-73

Gaseous

35.8706

Gaseous

Rank, D. H.; Skorinko, G.; Eastman, D. P.; Wiggins, T. A.; Journal of the Optical Society of America; vol. 50; (1960); p. 421 - 432, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199, View in Reaxys; McBride, B. J.; Heimel, S.; Ehlers, J. G.; Gordon, S.; NASA-SP-3001 (1963) 189; N.S.A.; vol. 17; (1963); p. 40775 ; (from Gmelin), View in Reaxys

39.2432

127

Gaseous

41.7449

227

Gaseous

50.2469

727

Gaseous

vol. C: MVol.D1; 15.8.7, page 193 - 199, View in Reaxys; McBride, B. J.; Heimel, S.; Ehlers, J. G.; Gordon, S.; NASA-SP-3001 (1963)

132/296

2018-01-18 00:45:07

189; N.S.A.; vol. 17; (1963); p. 40775 ; (from Gmelin), View in Reaxys 62.4456

2727

Gaseous

63.4384

5727

Gaseous

29.1767

-173

Gaseous

31.7278

-73

Gaseous

39.2491

127

Gaseous

41.7558

227

Gaseous

50.2758

727

Gaseous

61.1707

2727

Gaseous

63.7435

5727

Gaseous

Rank, D. H.; Skorinko, G.; Eastman, D. P.; Wiggins, T. A.; Journal of the Optical Society of America; vol. 50; (1960); p. 421 - 432, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys Partington; Journal of the Chemical Society; (1926); p. 1559, View in Reaxys; Ingold; Journal of the Chemical Society; (1926); p. 26, View in Reaxys; Bredig; Teichmann; Zeitschrift fuer Elektrochemie und Angewandte Physikalische Chemie; vol. 31; (1925); p. 452, View in Reaxys; Usherwood; Journal of the Chemical Society; vol. 121; (1922); p. 1612, View in Reaxys; Partington; Carroll; Phil. Mag.; vol. <6> 49; p. 671; Chem. Zentralbl.; vol. 96; nb. I; (1925); p. 2617, View in Reaxys; Spencer; Flannagan; Journal of the American Chemical Society; vol. 64; (1942); p. 2512, View in Reaxys

1.6 - 60.92

-258.1 - -23.1

Giauque; Ruehrwein; Journal of the American Chemical Society; vol. 61; (1939); p. 2626, View in Reaxys

129.79

-102.8

Giauque; Ruehrwein; Journal of the American Chemical Society; vol. 61; (1939); p. 2626, View in Reaxys

70.42 - 70.92

-13.1 - 16.9

Giauque; Ruehrwein; Journal of the American Chemical Society; vol. 61; (1939); p. 2626, View in Reaxys

71.05

26.9

Giauque; Ruehrwein; Journal of the American Chemical Society; vol. 61; (1939); p. 2626, View in Reaxys

70.57

-3

Liquid

Giauque; Ruehrwein; Journal of the American Chemical Society; vol. 61; (1939); p. 2626, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys

133/296

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71.03

Liquid

Giauque; Ruehrwein; Journal of the American Chemical Society; vol. 61; (1939); p. 2626, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys

130

-102.78

Solid

Giauque; Ruehrwein; Journal of the American Chemical Society; vol. 61; (1939); p. 2626, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys

1.599

-258

Solid

Giauque; Ruehrwein; Journal of the American Chemical Society; vol. 61; (1939); p. 2626, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys

17.638

-223

Solid

Giauque; Ruehrwein; Journal of the American Chemical Society; vol. 61; (1939); p. 2626, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys

33.517

-173

Solid

Giauque; Ruehrwein; Journal of the American Chemical Society; vol. 61; (1939); p. 2626, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys

42.32

-123

Solid

Giauque; Ruehrwein; Journal of the American Chemical Society; vol. 61; (1939); p. 2626, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys

46.54

-93

Solid

Giauque; Ruehrwein; Journal of the American Chemical Society; vol. 61; (1939); p. 2626, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys

46.88

-103

Solid

Giauque; Ruehrwein; Journal of the American Chemical Society; vol. 61; (1939); p. 2626, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys

49.81

-73

Solid

Giauque; Ruehrwein; Journal of the American Chemical Society; vol. 61; (1939); p. 2626, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys

5.592

-248

Solid

Giauque; Ruehrwein; Journal of the American Chemical Society; vol. 61; (1939); p. 2626, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys

60.9

-23

Solid

Giauque; Ruehrwein; Journal of the American Chemical Society; vol. 61; (1939); p. 2626, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys

Cp table; Liquid

Giauque; Ruehrwein; Journal of the American Chemical Society; vol. 61; (1939); p. 2626, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys

Cp table; Solid

Giauque; Ruehrwein; Journal of the American Chemical Society; vol. 61; (1939); p. 2626, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys

38.44 - 59.08

30 - 148

Felsing; Drake; Journal of the American Chemical Society; vol. 58; (1936); p. 1716, View in Reaxys

Flannagan; Drake; Journal of the American Chemical Society; vol. 58; (1936); p. 1717, View in Reaxys

40.57

20.8

Partington; Carroll; Phil. Mag.; vol. <6> 49; p. 671; Chem. Zentralbl.; vol. 96; nb. I; (1925); p. 2617, View in Reaxys

42.79

17.3

Partington; Carroll; Phil. Mag.; vol. <6> 49; p. 671; Chem. Zentralbl.; vol. 96; nb. I; (1925); p. 2617, View in Reaxys

38.59

140

Gaseous; 760 Torr

Bredig, G.; Teichmann, L.; Zeitschrift fuer Elektrochemie; vol. 31; (1925); p. 449 - 453 ; (from Gmelin), View in Reaxys

40.31

20.8

Gaseous; 422 Torr

Bredig, G.; Teichmann, L.; Zeitschrift fuer Elektrochemie; vol. 31; (1925); p. 449 - 453 ; (from Gmelin), View in Reaxys

40.52

100

Gaseous; 760 Torr

Bredig, G.; Teichmann, L.; Zeitschrift fuer Elektrochemie; vol. 31; (1925); p. 449 - 453 ; (from Gmelin), View in Reaxys

40.98

182

Gaseous; 760 Torr

Bredig, G.; Teichmann, L.; Zeitschrift fuer Elektrochemie; vol. 31; (1925); p. 449 - 453 ; (from Gmelin), View in Reaxys

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42.65

210

Gaseous; 760 Torr

Bredig, G.; Teichmann, L.; Zeitschrift fuer Elektrochemie; vol. 31; (1925); p. 449 - 453 ; (from Gmelin), View in Reaxys

43.45

17.35

Gaseous; 505 Torr

Bredig, G.; Teichmann, L.; Zeitschrift fuer Elektrochemie; vol. 31; (1925); p. 449 - 453 ; (from Gmelin), View in Reaxys

43.78

Gaseous; 760 Torr

Bredig, G.; Teichmann, L.; Zeitschrift fuer Elektrochemie; vol. 31; (1925); p. 449 - 453 ; (from Gmelin), View in Reaxys

65 - 210

Usherwood; Journal of the Chemical Society; vol. 121; (1922); p. 1612, View in Reaxys

70.65

Liquid

vol. C: MVol.D1; 15.8.7, page 193 - 199, View in Reaxys; Wagman, D. D.; Evans, W. H.; Parker, V. B.; Halow, I.; Bailey, S. M.; Schumm, R. H.; Natl. Bur. Std. (U.S.) Tech. Note 270-3 (1968) 122 ; (from Gmelin), View in Reaxys

29.177

-173

Gaseous

vol. C: MVol.D1; 15.8.7, page 193 - 199, View in Reaxys; Anonymous National Bureau of Standards; JANAF Themochemical Tables PB 168 370 (1965) ; (from Gmelin), View in Reaxys

31.764

-73

Gaseous

vol. C: MVol.D1; 15.8.7, page 193 - 199, View in Reaxys; Anonymous National Bureau of Standards; JANAF Themochemical Tables PB 168 370 (1965) ; (from Gmelin), View in Reaxys

35.87

760 Torr; Gaseous

35.91

Gaseous

vol. C: MVol.D1; 15.8.7, page 193 - 199, View in Reaxys; Herzberg, G.; Infrared and Raman Spectra of Polyatomic Molecules, New York 1945, S. 280 ; (from Gmelin), View in Reaxys

35.97

Gaseous

vol. C: MVol.D1; 15.8.7, page 193 - 199, View in Reaxys; Anonymous National Bureau of Standards; JANAF Themochemical Tables PB 168 370 (1965) ; (from Gmelin), View in Reaxys

38.59

140

760 Torr; Gaseous

vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys

39.26

127

Gaseous

vol. C: MVol.D1; 15.8.7, page 193 - 199, View in Reaxys; Herzberg, G.; Infrared and Raman Spectra of Polyatomic Molecules, New York 1945, S. 280 ; (from Gmelin), View in Reaxys

39.394

127

Gaseous

vol. C: MVol.D1; 15.8.7, page 193 - 199, View in Reaxys; Anonymous National Bureau of Standards; JANAF Themochemical Tables PB 168 370 (1965) ; (from Gmelin), View in Reaxys

40.31

20.8

422 Torr; Gaseous

vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys

40.52

100

760 Torr; Gaseous

vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys

40.98

182

760 Torr; Gaseous

vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys

41.77

227

Gaseous

vol. C: MVol.D1; 15.8.7, page 193 - 199, View in Reaxys; Herzberg, G.; Infrared and Raman Spectra of Polyatomic Molecules, New York 1945, S. 280 ; (from Gmelin), View in Reaxys

42.031

227

Gaseous

vol. C: MVol.D1; 15.8.7, page 193 - 199, View in Reaxys; Anonymous National Bureau of Standards; JANAF Themochemical Tables PB 168 370 (1965) ; (from Gmelin), View in Reaxys

42.65

210

760 Torr; Gaseous

vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys

43.45

17.35

505 Torr; Gaseous

vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys

43.78

760 Torr; Gaseous

vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys

135/296

2018-01-18 00:45:07

50.1

727

Gaseous

vol. C: MVol.D1; 15.8.7, page 193 - 199, View in Reaxys; Herzberg, G.; Infrared and Raman Spectra of Polyatomic Molecules, New York 1945, S. 280 ; (from Gmelin), View in Reaxys

50.988

727

Gaseous

vol. C: MVol.D1; 15.8.7, page 193 - 199, View in Reaxys; Anonymous National Bureau of Standards; JANAF Themochemical Tables PB 168 370 (1965) ; (from Gmelin), View in Reaxys

63.08

2727

Gaseous

vol. C: MVol.D1; 15.8.7, page 193 - 199, View in Reaxys; Anonymous National Bureau of Standards; JANAF Themochemical Tables PB 168 370 (1965) ; (from Gmelin), View in Reaxys

64.0649

6727

Gaseous

vol. C: MVol.D1; 15.8.7, page 193 - 199, View in Reaxys; Durand, J. L.; Brandmaier, H. E.; Western States Sect. Combust. Inst. Palo Alto, Calif., Paper WSS/CI 62-13 (1962) 137/8 ; (from Gmelin), View in Reaxys

67.495

5727

Gaseous

vol. C: MVol.D1; 15.8.7, page 193 - 199, View in Reaxys; Anonymous National Bureau of Standards; JANAF Themochemical Tables PB 168 370 (1965) ; (from Gmelin), View in Reaxys

Cp equation; Gaseous

vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys

Comment (Heat Capacity Cp0)

References

Heat Capacity Cp0 (3) Heat Capacity Temperature Cp0 [Jmol-1K-1] (Heat Capacity Cp0) [°C]

Christensen et al.; Journal of the Chemical Society [Section] A: Inorganic, Physical, Theoretical; (1970); p. 454, View in Reaxys -223.1 - 4726.8 35.92 - 50.12

determined statis- Bradley et al.; Journal of Research of the National Bureau of Standtically. ards (United States); vol. 56; (1956); p. 197, View in Reaxys

25 - 726.9

Heat Capacity Cv (12) Heat Capacity Cv Temperature [Jmol-1K-1] (Heat Capacity Cv) [°C]

Stamm; Halverson; Whalen; Journal of Chemical Physics; vol. 17; (1949); p. 104, View in Reaxys Comment (Heat Capacity Cv)

References

Flannagan; Drake; Journal of the American Chemical Society; vol. 58; (1936); p. 1717, View in Reaxys

29.31

20.8

Partington; Carroll; Phil. Mag.; vol. <6> 49; p. 671; Chem. Zentralbl.; vol. 96; nb. I; (1925); p. 2617, View in Reaxys

33.49

17.3

Partington; Carroll; Phil. Mag.; vol. <6> 49; p. 671; Chem. Zentralbl.; vol. 96; nb. I; (1925); p. 2617, View in Reaxys

29.93

140

Gaseous; 760 Torr

Bredig, G.; Teichmann, L.; Zeitschrift fuer Elektrochemie; vol. 31; (1925); p. 449 - 453, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys

31.43

20.8

Gaseous; 422 Torr

Bredig, G.; Teichmann, L.; Zeitschrift fuer Elektrochemie; vol. 31; (1925); p. 449 - 453, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys

31.73

100

Gaseous; 760 Torr

Bredig, G.; Teichmann, L.; Zeitschrift fuer Elektrochemie; vol. 31; (1925); p. 449 - 453, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys

32.4

182

Gaseous; 760 Torr

Bredig, G.; Teichmann, L.; Zeitschrift fuer Elektrochemie; vol. 31; (1925); p. 449 - 453, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys

34.11

210

Gaseous; 760 Torr

Bredig, G.; Teichmann, L.; Zeitschrift fuer Elektrochemie; vol. 31; (1925); p. 449 - 453, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys

34.45

17.35

Gaseous; 505 Torr

Bredig, G.; Teichmann, L.; Zeitschrift fuer Elektrochemie; vol. 31; (1925); p. 449 - 453, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys

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34.82

Gaseous; 760 Torr

Bredig, G.; Teichmann, L.; Zeitschrift fuer Elektrochemie; vol. 31; (1925); p. 449 - 453, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys

Cv table; Gaseous

Bredig, G.; Teichmann, L.; Zeitschrift fuer Elektrochemie; vol. 31; (1925); p. 449 - 453, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys

65 - 210

Usherwood; Journal of the Chemical Society; vol. 121; (1922); p. 1612, View in Reaxys

Interatomic Distances and Angles (8) Description Comment (Intera- References tomic Distances and Angles) Interatomic distances and angles

Interatomic distances and angles

Electron distribution

Dagg; Thompson; Transactions of the Faraday Society; vol. 52; (1956); p. 455, View in Reaxys; Bayer; Haefelinger; Chemische Berichte; vol. 99; (1966); p. 1689, View in Reaxys; Orville-Thomas; Journal of Chemical Physics; vol. 43; (1965); p. 244, View in Reaxys; Magnasco; Perico; Journal of Chemical Physics; vol. 48; (1968); p. 800,802, 805, 807, View in Reaxys; Graner; Spectrochimica Acta; vol. 19; (1963); p. 2113, View in Reaxys; Overend; Transactions of the Faraday Society; vol. 56; (1960); p. 310, View in Reaxys; Tyler; Sheridan; Transactions of the Faraday Society; vol. 59; (1963); p. 2661,2665, View in Reaxys; Machida; Overend; Journal of Chemical Physics; vol. 50; (1969); p. 4437,4438, View in Reaxys; del Conde; Novaro; Tetrahedron; vol. 28; (1972); p. 1789,1791, View in Reaxys; Boyd; Lipscomb; Journal of Chemical Physics; vol. 48; (1968); p. 4955,4958-4959,4961,4964,4967, View in Reaxys; Pople; Accounts of Chemical Research; vol. 3; (1970); p. 217,219,220,222,223, View in Reaxys; Kalman; Journal of Chemical Physics; vol. 60; (1974); p. 974, View in Reaxys; Zahradnik; Leska; Chemical Physics Letters; vol. 41; (1976); p. 293, View in Reaxys; Pearson et al.; Zeitschrift fuer Naturforschung, Teil A: Astrophysik, Physik und Physikalische Chemie; vol. 31; (1976); p. 1394, View in Reaxys; Winnewisser et al.; Journal of Molecular Spectroscopy; vol. 39; (1971); p. 149,151, 157, View in Reaxys; Ohwada, Ken; Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy; vol. 37; nb. 6; (1981); p. 381 - 384, View in Reaxys; Brown, J. K.; Cox, A. P.; Spectrochimica Acta; vol. 17; (1961); p. 1230 - 1239, View in Reaxys; Burden, F. R.; Millen, D. J.; Journal of the Chemical Society [Section] A: Inorganic, Physical, Theoretical; (1967); p. 1212 - 1217, View in Reaxys; Costain, C. C.; Journal of Chemical Physics; vol. 29; (1958); p. 864 874, View in Reaxys; Douglas, A. E.; Sharma, D.; Journal of Chemical Physics; vol. 21; (1953); p. 448 - 458, View in Reaxys; Girin, C. P.; Akopyan, S. K.; Bakhshiev, N. G.; Optika i Spektroskopiya; vol. 25; (1968); p. 111 - 114; Optika i Spektroskopiya; vol. 25; (1968); p. 207 - 215, View in Reaxys; Herzberg, G.; Innes, K. K.; Canadian Journal of Physics; vol. 35; (1957); p. 842 - 879, View in Reaxys; Johns, J. C. W.; Canadian Journal of Physics; vol. 45; (1967); p. 2639 - 2650, View in Reaxys; Nethercot, A. H.; Klein, J. A.; Townes, C. H.; Physical Review; vol. 86; (1952); p. 798 - 799, View in Reaxys; Rank, D. H.; Skorinko, G.; Eastman, D. P.; Wiggins, T. A.; Journal of the Optical Society of America; vol. 50; (1960); p. 421 - 432, View in Reaxys; Simmons, J. W.; Anderson, W. E.; Gordy, A. W.; Physical Review; vol. 86; (1952); p. 1055 - 1056, View in Reaxys; Thorson, W. R.; Nakagawa, I.; Journal of Chemical Physics; vol. 33; (1960); p. 994 - 1004, View in Reaxys; Toyama, M.; Oka, T.; Morino, Y.; J. Mol. Spectrosc.; vol. 13; (1964); p. 193 - 213, View in Reaxys; vol. C: MVol.D1; 15.4.26, page 162 - 167, View in Reaxys; vol. C: MVol.D1; 15.5.9, page 170 - 175, View in Reaxys; Gordy, W.; Smith, W. V.; Trambarulo, R. F.; Microwave Spectroscopy, New York - London 1953, S. 371, View in Reaxys; Herzberg, G.; Molecular Spectra and Molecular Structure III. Electronic Spectra and Electronic Structure of Polyatomic Molecules, Princeton - Toronto - New York - London 1966, S. 588, View in Reaxys; Siebert, H.; Anwendungen der Schwingungsspektroskopie in der anorganischen Chemie, Berlin - Heidelberg - New York 1966, S. 47, View in Reaxys; Wang, Youliang; Poirier, Raymond A.; Journal of Molecular Structure; vol. 340; (1995); p. 1 - 14 ; (from Gmelin), View in Reaxys Empirical calcn. (phys. properties)

Berry, Rajiv J; Harmony, Marlin D; Journal of Molecular Spectroscopy; vol. 128; nb. 1; (1988); p. 176 - 194, View in Reaxys; Meenakshi, A.; Innes, K. K.; Bickel, G. A.; Molecular Physics; vol. 68; (1989); p. 1179 - 1184, View in Reaxys; Ross, S. C.; Bunker, P. R.; Journal of Molecular Spectroscopy; vol. 101; (1983); p. 199 - 211 ; (from Gmelin), View in Reaxys Pople; Segal; Journal of Chemical Physics; vol. 43; (1965); p. 136,146, View in Reaxys; Clementi; Clementi; Journal of Chemical Physics; vol. 36; (1962); p. 2824, View in Reaxys; Samec et al.; Journal of Electroanalytical Chemistry and Interfacial Electrochemistry; vol. 103; (1979); p. 11, View in Reaxys; Roche; Pujol; Comptes Rendus des Seances de l'Academie des Sciences, Serie C: Sciences Chimiques; vol. 270; (1970); p. 1384, View in Reaxys

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Interatomic distances and angles

in einem angerHerzberg; Innes; Canad. J. Physics; vol. 35; (1957); p. 842,871, View in Reaxys egten Elektronenzustand.

Electron distribution

Quantenmechanische Berechnungen zur Elektronenstruktur.

Iguchi; Journal of Chemical Physics; vol. 25; (1956); p. 217, View in Reaxys; Iguchi; Journal of Chemical Physics; vol. 23; (1955); p. 1983, View in Reaxys; Bassompierre; Journal de Chimie Physique et de Physico-Chimie Biologique; vol. 51; (1954); p. 614, View in Reaxys; Bassompierre; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 239; (1954); p. 1298, View in Reaxys; Walsh; Journal of the Chemical Society; (1953); p. 2266,2279, View in Reaxys

Interatomic distances and angles

Atom-Abstand CH:1.0657 A; C-N: 1.1530 A (aus dem Infrarotspektrum).

Douglas; Sharma; Journal of Chemical Physics; vol. 21; (1953); p. 448,450, View in Reaxys

Interatomic distances and angles

Atom-Abstand C- Nethercort; Klein; Townes; Physical Review; vol. <2> 86; (1952); p. 799, H: 1.0646 A; C-N: View in Reaxys 1.1562 A (Mikrowellen).

Interatomic distances and angles

Atom-Abstand C- Simmons; Anderson; Gordy; Physical Review; vol. <2> 86; (1952); p. 1056, H: 1.0637 A; C-N: View in Reaxys 1.1563 A (Mikrowellen).

Ionization Potential (9) Ionization Poten- Method (Ionizatial [eV] tion Potential)

Comment (Ioniza- References tion Potential) formation of ions described

Burrow, P. D.; Howard, A. E.; Johnston, A. R.; Jordan, K. D.; Journal of Physical Chemistry; vol. 96; nb. 19; (1992); p. 7570 - 7578 ; (from Gmelin), View in Reaxys

higher ionization potentials available; formation of ions described

Kreile, Juergen; Schweig, Armin; Thiel, Walter; Chemical Physics Letters; vol. 87; (1982); p. 473 - 476 ; (from Gmelin), View in Reaxys

Centnerszwer; Zeitschrift fuer Physikalische Chemie, Stoechiometrie und Verwandtschaftslehre; vol. 39; (1902); p. 217, View in Reaxys; Kahlenberg; Schlundt; 1903 I, 1, View in Reaxys; McDowell; Industrie Chimique Belge; vol. 19; (1954); p. 713,716, View in Reaxys; Gibson; Canadian Journal of Chemistry; vol. 55; (1977); p. 2637,2638, View in Reaxys; Varsel et al.; Analytical Chemistry; vol. 32; (1960); p. 182,183, View in Reaxys; Peters; Journal of Chemical Physics; vol. 45; (1966); p. 3474, View in Reaxys; Dibeler; Liston; Journal of Chemical Physics; vol. 48; (1968); p. 4765,4767, View in Reaxys; Hitchcock; Brion; Chemical Physics; vol. 37; (1978); p. 319,321,322, View in Reaxys; Watanabe et al.; Journal of Quantitative Spectroscopy and Radiative Transfer; vol. 2; (1962); p. 369,377, View in Reaxys; Baker; Turner; Proceedings of the Royal Society of London, Series A: Mathematical, Physical and Engineering Sciences; vol. 308; (1968); p. 19,20, 21, 28, 30, View in Reaxys; Baybutt et al.; Molecular Physics; vol. 25; (1973); p. 1025,1026,1030, View in Reaxys; Zahradnik; Carsky; Collection of Czechoslovak Chemical Communications; vol. 38; (1973); p. 1876,1881, View in Reaxys; Liu; Journal of Chemical Physics; vol. 67; (1977); p. 373, View in Reaxys; Griffing; Simons; Journal of Chemical Physics; vol. 64; (1976); p. 3610, View in Reaxys; Lageot; Journal de Chimie Physique et de Physico-Chimie Biologique; vol. 68; (1971); p. 214, View in Reaxys; Bieri et al.; Chemical Physics; vol. 36; (1979); p. 1,9, View in Reaxys 13.6

Photoelectron Spectroscopy

Baker, C.; Turner, D. W.; Proceedings of the Royal Society of London, Series A: Mathematical, Physical and Engineering Sciences; vol. 308; (1969); p. 19 - 37, View in Reaxys; vol. C: MVol.D1; 15.5.16, page 175 - 178 ; (from Gmelin), View in Reaxys

13.58 - 13.6

Photoionization

Dibeler, V. H.; Liston, S. K.; Journal of Chemical Physics; vol. 48; (1968); p. 4765 - 4768, View in Reaxys; vol. C: MVol.D1; 15.5.16, page 175 - 178 ; (from Gmelin), View in Reaxys

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13.6 - 13.8

Electron Impact

Kusch, P.; Hustrulid, A.; Tate, J. T.; Physical Review; vol. 52; (1937); p. 843 - 854, View in Reaxys; Varsel, C. J.; Morrell, F. A.; Resnik, F. E.; Powell, W. A.; Analytical Chemistry; vol. 32; (1960); p. 182 - 186, View in Reaxys; vol. C: MVol.D1; 15.5.16, page 175 178 ; (from Gmelin), View in Reaxys

13.91

Electron impact

Morrison; Nicholson; Journal of Chemical Physics; vol. 20; (1952); p. 1021, View in Reaxys

13.87 - 13.95

Electron Impact

Morrison; Nicholson; Journal of Chemical Physics; vol. 20; (1952); p. 1021, View in Reaxys; vol. C: MVol.D1; 15.5.16, page 175 - 178, View in Reaxys; Herzberg, G.; Molecular Spectra and Molecular Structure III. Electronic Spectra and Electronic Structure of Polyatomic Molecules, Princeton - Toronto - New York - London 1966, S. 588 ; (from Gmelin), View in Reaxys

13.86

Electron Impact

vol. C: MVol.D1; 15.5.16, page 175 - 178, View in Reaxys; Field, F. H.; Franklin, J. L.; Electron Impact Phenomena, New York 1957, S. 113 ; (from Gmelin), View in Reaxys

Liquid Phase (2) Description (Liquid Phase)

Comment (Liquid Phase)

References

Self-association in solution

Assoziation von fluessigem Cyanwasserstoff.

Tyuzyo; Bulletin of the Chemical Society of Japan; vol. 30; (1957); p. 782,851, View in Reaxys; Coates; Davies; Journal of the Chemical Society; (1950); p. 1194,1197, View in Reaxys

Association in the liquid state

HCN ist in der Naehe des Siedepunkts merklich assoziiert.

Partington; Journal of the Chemical Society; (1926); p. 1559, View in Reaxys; Ingold; Journal of the Chemical Society; (1926); p. 26, View in Reaxys; Bredig; Teichmann; Zeitschrift fuer Elektrochemie und Angewandte Physikalische Chemie; vol. 31; (1925); p. 452, View in Reaxys; Parington; Carroll; Phil. Mag.; vol. <6> 49; p. 678; Chem. Zentralbl.; vol. 96; nb. I; (1925); p. 2617, View in Reaxys; Sinozaki; Hara; Technol. Rep. Tohoku Univ.; vol. 8; p. 297; Chem. Zentralbl.; vol. 100; nb. II; (1929); p. 2161, View in Reaxys; Sinozaki; Hara; Proceedings of the Imperial Academy (Tokyo); vol. 3; p. 593; Chem. Zentralbl.; vol. 99; nb. I; (1928); p. 1268, View in Reaxys

Liquid/Liquid Systems (MCS) (17) 1 of 17

Description (Liquid/ Liquid Systems (MCS))

Distribution between solvent 1 + 2

Temperature (Liquid/ Liquid Systems (MCS)) [°C]

Comment (Liquid/Liquid Systems (MCS))

distribution coefficient = 4.62

Partner (Liquid/Liquid Systems (MCS))

2-methyl-tetrahydrofuran; water

Andrews, Steven S.; Boxer, Steven G.; Journal of Physical Chemistry A; vol. 104; nb. 51; (2000); p. 11853 11863 ; (from Gmelin), View in Reaxys 2 of 17

Description (Liquid/ Liquid Systems (MCS))

Distribution between solvent 1 + 2

Sandell; Naturwissenschaften; vol. 51; (1964); p. 336, View in Reaxys 3 of 17

Description (Liquid/ Liquid Systems (MCS))

Distribution between solvent 1 + 2

Temperature (Liquid/ Liquid Systems (MCS)) [°C]

Comment (Liquid/Liquid Systems (MCS))

distribution coefficient = 1.8

Partner (Liquid/Liquid Systems (MCS))

(C2H5)2O; H2O

Sandell; Naturwissenschaften; vol. 51; (1964); p. 336, View in Reaxys; vol. C: MVol.D1; 15.11.11.7, page 224 242 ; (from Gmelin), View in Reaxys

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4 of 17

Description (Liquid/ Liquid Systems (MCS))

Distribution between solvent 1 + 2

Temperature (Liquid/ Liquid Systems (MCS)) [°C]

Comment (Liquid/Liquid Systems (MCS))

distribution coefficient = 0.22

Partner (Liquid/Liquid Systems (MCS))

CHCl3; H2O

Sandell; Naturwissenschaften; vol. 51; (1964); p. 336, View in Reaxys; vol. C: MVol.D1; 15.11.11.7, page 224 242 ; (from Gmelin), View in Reaxys 5 of 17

Description (Liquid/ Liquid Systems (MCS))

Distribution between solvent 1 + 2

Temperature (Liquid/ Liquid Systems (MCS)) [°C]

Comment (Liquid/Liquid Systems (MCS))

distribution coefficient = 2.4

Partner (Liquid/Liquid Systems (MCS))

(C2H5)2O; H2O

Deniges, G.; Bull. Trav. Soc. Pharm. Bordeaux; vol. 78; (1940); p. 61 - 65; C.A.; (1940); p. 5724, View in Reaxys; vol. C: MVol.D1; 15.11.11.7, page 224 - 242 ; (from Gmelin), View in Reaxys 6 of 17

Description (Liquid/ Liquid Systems (MCS))

Distribution between solvent 1 + 2

Temperature (Liquid/ Liquid Systems (MCS)) [°C]

Comment (Liquid/Liquid Systems (MCS))

distribution coefficient = 0.37

Partner (Liquid/Liquid Systems (MCS))

C2H2Cl4; H2O

Deniges, G.; Bull. Trav. Soc. Pharm. Bordeaux; vol. 78; (1940); p. 61 - 65; C.A.; (1940); p. 5724, View in Reaxys; vol. C: MVol.D1; 15.11.11.7, page 224 - 242 ; (from Gmelin), View in Reaxys 7 of 17

Description (Liquid/ Liquid Systems (MCS))

Distribution between solvent 1 + 2

Temperature (Liquid/ Liquid Systems (MCS)) [°C]

Comment (Liquid/Liquid Systems (MCS))

distribution coefficient = 0.36

Partner (Liquid/Liquid Systems (MCS))

C2H5Br; H2O

Deniges, G.; Bull. Trav. Soc. Pharm. Bordeaux; vol. 78; (1940); p. 61 - 65; C.A.; (1940); p. 5724, View in Reaxys; vol. C: MVol.D1; 15.11.11.7, page 224 - 242 ; (from Gmelin), View in Reaxys 8 of 17

Description (Liquid/ Liquid Systems (MCS))

Distribution between solvent 1 + 2

Temperature (Liquid/ Liquid Systems (MCS)) [°C]

Comment (Liquid/Liquid Systems (MCS))

distribution coefficient = 0.44

Partner (Liquid/Liquid Systems (MCS))

C6H6; H2O

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Deniges, G.; Bull. Trav. Soc. Pharm. Bordeaux; vol. 78; (1940); p. 61 - 65; C.A.; (1940); p. 5724, View in Reaxys; vol. C: MVol.D1; 15.11.11.7, page 224 - 242 ; (from Gmelin), View in Reaxys 9 of 17

Description (Liquid/ Liquid Systems (MCS))

Distribution between solvent 1 + 2

Temperature (Liquid/ Liquid Systems (MCS)) [°C]

Comment (Liquid/Liquid Systems (MCS))

distribution coefficient = 0.04

Partner (Liquid/Liquid Systems (MCS))

CCl4; H2O

Deniges, G.; Bull. Trav. Soc. Pharm. Bordeaux; vol. 78; (1940); p. 61 - 65; C.A.; (1940); p. 5724, View in Reaxys; vol. C: MVol.D1; 15.11.11.7, page 224 - 242 ; (from Gmelin), View in Reaxys 10 of 17

Description (Liquid/ Liquid Systems (MCS))

Distribution between solvent 1 + 2

Temperature (Liquid/ Liquid Systems (MCS)) [°C]

Comment (Liquid/Liquid Systems (MCS))

distribution coefficient = 0.28

Partner (Liquid/Liquid Systems (MCS))

CHCl3; H2O

Deniges, G.; Bull. Trav. Soc. Pharm. Bordeaux; vol. 78; (1940); p. 61 - 65; C.A.; (1940); p. 5724, View in Reaxys; vol. C: MVol.D1; 15.11.11.7, page 224 - 242 ; (from Gmelin), View in Reaxys 11 of 17

Description (Liquid/ Liquid Systems (MCS))

Distribution between solvent 1 + 2

Partner (Liquid/Liquid Systems (MCS))

benzene; water

Gross; Iser; Monatshefte fuer Chemie; vol. 55; (1930); p. 332, View in Reaxys; Gross; Schwarz; Monatshefte fuer Chemie; vol. 55; (1930); p. 291, View in Reaxys 12 of 17

Description (Liquid/ Liquid Systems (MCS))

Distribution between solvent 1 + 2

Partner (Liquid/Liquid Systems (MCS))

water; water

Gross; Iser; Monatshefte fuer Chemie; vol. 55; (1930); p. 332, View in Reaxys; Gross; Schwarz; Monatshefte fuer Chemie; vol. 55; (1930); p. 291, View in Reaxys 13 of 17

Description (Liquid/ Liquid Systems (MCS))

Distribution between solvent 1 + 2

Partner (Liquid/Liquid Systems (MCS))

water; salts

Gross; Iser; Monatshefte fuer Chemie; vol. 55; (1930); p. 332, View in Reaxys; Gross; Schwarz; Monatshefte fuer Chemie; vol. 55; (1930); p. 291, View in Reaxys 14 of 17

Description (Liquid/ Liquid Systems (MCS))

Distribution between solvent 1 + 2

Partner (Liquid/Liquid Systems (MCS))

glycerol; urea

Gross; Iser; Monatshefte fuer Chemie; vol. 55; (1930); p. 332, View in Reaxys; Gross; Schwarz; Monatshefte fuer Chemie; vol. 55; (1930); p. 291, View in Reaxys 15 of 17

Description (Liquid/ Liquid Systems (MCS))

Distribution between solvent 1 + 2

Temperature (Liquid/ Liquid Systems (MCS)) [°C]

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Partner (Liquid/Liquid Systems (MCS))

benzene; aqueous H<Ag(CN)2>

Randall; Halford; Journal of the American Chemical Society; vol. 52; (1930); p. 194, View in Reaxys 16 of 17

Partner (Liquid/Liquid Systems (MCS))

C6H6; H2O

Gross, P.; Iser, M.; Monatshefte fuer Chemie; vol. 55; (1930); p. 329 - 337, View in Reaxys; Gross, P.; Schwarz, K.; Monatshefte fuer Chemie; vol. 55; (1930); p. 287 - 306, View in Reaxys; vol. C: MVol.D1; 15.11.11.7, page 224 242 ; (from Gmelin), View in Reaxys 17 of 17

Description (Liquid/ Liquid Systems (MCS))

Distribution between solvent 1 + 2

Solvent (Liquid/Liquid Systems (MCS))

H2O; toluene

Temperature (Liquid/ Liquid Systems (MCS)) [°C]

Bredig; Fiske; Biochemische Zeitschrift; vol. 46; (1912); p. 10, View in Reaxys Liquid/Solid Systems (MCS) (9) 1 of 9

Description (Liquid/Solid Melting diagram Systems (MCS)) Temperature (Liquid/ Solid Systems (MCS)) [°C]

-87

Comment (Liquid/Solid Systems (MCS))

unbestaendige Additionsverbindung 1:1.

Partner (Liquid/Solid Systems (MCS))

diethyl ether

Birkenbach; Buechner; Chemische Berichte; vol. 73; (1940); p. 1168, View in Reaxys 2 of 9

Description (Liquid/Solid Eutectic Systems (MCS)) Temperature (Liquid/ Solid Systems (MCS)) [°C]

-121.6 - -121.5

Comment (Liquid/Solid Systems (MCS))

22Mol.-prozent HCN.

Partner (Liquid/Solid Systems (MCS))

diethyl ether

Birkenbach; Buechner; Chemische Berichte; vol. 73; (1940); p. 1168, View in Reaxys 3 of 9

Description (Liquid/Solid Eutectic Systems (MCS)) Temperature (Liquid/ Solid Systems (MCS)) [°C]

-23.4

Comment (Liquid/Solid Systems (MCS))

74.5Mol.-prozent HCN.

Partner (Liquid/Solid Systems (MCS))

water

Peiker; Coffin; Canadian Journal of Research; vol. 8; (1933); p. 114; Chem. Zentralbl.; vol. 104; nb. I; (1933); p. 3154, View in Reaxys; Coates; Hartshorne; Journal of the Chemical Society; (1931); p. 661, View in Reaxys 4 of 9

Description (Liquid/Solid Melting diagram Systems (MCS)) Partner (Liquid/Solid Systems (MCS))

formic acid

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Peiker; Coffin; Canadian Journal of Research; vol. 8; (1933); p. 114; Chem. Zentralbl.; vol. 104; nb. I; (1933); p. 3154, View in Reaxys 5 of 9

Description (Liquid/Solid Eutectic Systems (MCS)) Temperature (Liquid/ Solid Systems (MCS)) [°C]

-32

Comment (Liquid/Solid Systems (MCS))

63 Mol.-prozent HCN.

Partner (Liquid/Solid Systems (MCS))

formic acid

Peiker; Coffin; Canadian Journal of Research; vol. 8; (1933); p. 114; Chem. Zentralbl.; vol. 104; nb. I; (1933); p. 3154, View in Reaxys 6 of 9

Description (Liquid/Solid Melting diagram Systems (MCS)) Partner (Liquid/Solid Systems (MCS))

formamide

Peiker; Coffin; Canadian Journal of Research; vol. 8; (1933); p. 114; Chem. Zentralbl.; vol. 104; nb. I; (1933); p. 3154, View in Reaxys 7 of 9

Description (Liquid/Solid Eutectic Systems (MCS)) Temperature (Liquid/ Solid Systems (MCS)) [°C]

-45

Comment (Liquid/Solid Systems (MCS))

53 Mol.-prozent HCN.

Partner (Liquid/Solid Systems (MCS))

formamide

Peiker; Coffin; Canadian Journal of Research; vol. 8; (1933); p. 114; Chem. Zentralbl.; vol. 104; nb. I; (1933); p. 3154, View in Reaxys 8 of 9

Description (Liquid/Solid Melting diagram Systems (MCS)) Partner (Liquid/Solid Systems (MCS))

water

Gautier; Annales de Chimie (Cachan, France); vol. <4> 17; (1869); p. 103, View in Reaxys; Peiker; Coffin; Canadian Journal of Research; vol. 8; (1933); p. 114; Chem. Zentralbl.; vol. 104; nb. I; (1933); p. 3154, View in Reaxys; Coates; Hartshorne; Journal of the Chemical Society; (1931); p. 661, View in Reaxys 9 of 9

Description (Liquid/Solid Solidification points of mixtures Systems (MCS)) Partner (Liquid/Solid Systems (MCS))

water

Gautier; Annales de Chimie (Cachan, France); vol. <4> 17; (1869); p. 103, View in Reaxys Liquid/Vapour Systems (MCS) (11) 1 of 11

Description (Liquid/ Liquid/vapour phase diagram Vapour Systems (MCS)) Temperature (Liquid/ 0 - 75 Vapour Systems (MCS)) [°C] Pressure (Liquid/Vapour 30.07 - 3618 Systems (MCS)) [Torr] Partner (Liquid/Vapour Systems (MCS))

methanol

Giles, Neil F.; Wilson, Howard L.; Wilding, W. Vincent; Journal of Chemical and Engineering Data; vol. 41; nb. 6; (1996); p. 1223 - 1238, View in Reaxys

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2 of 11

Description (Liquid/ Liquid/vapour equilibrium Vapour Systems (MCS)) Temperature (Liquid/ 0 - 75 Vapour Systems (MCS)) [°C] Pressure (Liquid/Vapour 30.07 - 3618 Systems (MCS)) [Torr] Partner (Liquid/Vapour Systems (MCS))

methanol

Giles, Neil F.; Wilson, Howard L.; Wilding, W. Vincent; Journal of Chemical and Engineering Data; vol. 41; nb. 6; (1996); p. 1223 - 1238, View in Reaxys 3 of 11

Description (Liquid/ Liquid/vapour equilibrium Vapour Systems (MCS)) Kotlik; Lebedeva; J. Appl. Chem. USSR (Engl. Transl.); vol. 47; (1974); p. 444,440, View in Reaxys; Sokolov et al.; Revista de Chimie (Bucharest, Romania); vol. 20; (1969); p. 169, View in Reaxys

4 of 11

Description (Liquid/ Vapour pressure diagram for the mixture Vapour Systems (MCS)) Kolinakow et al.; Trudy po Khimii i Khimicheskoi Tekhnologii; vol. 1; (1958); p. 250,251-255; Chem.Abstr.; nb. 5197; (1960), View in Reaxys; Kisarow et al.; Trudy po Khimii i Khimicheskoi Tekhnologii; vol. 4; (1961); p. 237,238-241; Chem.Abstr.; nb. 987; (1962), View in Reaxys; Sokolow et al.; Russian Journal of Physical Chemistry; vol. 40; (1966); p. 584; Zhurnal Fizicheskoi Khimii; vol. 40; (1966); p. 1086, View in Reaxys

5 of 11

Description (Liquid/ Boiling point diagram Vapour Systems (MCS)) Partner (Liquid/Vapour Systems (MCS))

water

Collet; Ferrari-Chozard; Annales Pharmaceutiques Francaises; vol. 5; (1947); p. 310; Chem.Abstr.; (1948); p. 3134, View in Reaxys; Opychtina; Frost; Zhurnal Obshchei Khimii; vol. 6; (1936); p. 1781; Chem. Zentralbl.; vol. 108; nb. II; (1937); p. 1355, View in Reaxys 6 of 11

Description (Liquid/ Vapour pressure diagram for the mixture Vapour Systems (MCS)) Temperature (Liquid/ 15 Vapour Systems (MCS)) [°C] Partner (Liquid/Vapour Systems (MCS))

cyanogen chloride

Gordon; Benson; Canadian Journal of Research, Section B: Chemical Sciences; vol. 24; (1946); p. 290, View in Reaxys 7 of 11

Description (Liquid/ Liquid/vapour equilibrium Vapour Systems (MCS)) Temperature (Liquid/ 15 Vapour Systems (MCS)) [°C] Partner (Liquid/Vapour Systems (MCS))

cyanogen chloride

Gordon; Benson; Canadian Journal of Research, Section B: Chemical Sciences; vol. 24; (1946); p. 290, View in Reaxys 8 of 11

Description (Liquid/ Partial pressures of the components Vapour Systems (MCS)) Comment (Liquid/ von HCN ueber wss. Loesungen bei 18grad. Vapour Systems (MCS)) Fredenhagen; Wellmann; Zeitschrift fuer Physikalische Chemie, Abteilung A: Chemische Thermodynamik, Kinetik, Elektrochemie, Eigenschaftslehre; vol. 162; (1932); p. 468, View in Reaxys

9 of 11

Description (Liquid/ Vapour pressure diagram for the mixture Vapour Systems (MCS))

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Solvent (Liquid/Vapour Systems (MCS))

H2O

Temperature (Liquid/ 18 Vapour Systems (MCS)) [°C] Shirado; Bulletin of the Chemical Society of Japan; vol. 2; (1927); p. 91; Chem. Zentralbl.; vol. 98; nb. II; (1927); p. 392, View in Reaxys; Bredig; Shirado; Zeitschrift fuer Elektrochemie und Angewandte Physikalische Chemie; vol. 33; (1927); p. 210, View in Reaxys 10 of 11

Description (Liquid/ Partial pressures of the components Vapour Systems (MCS)) Comment (Liquid/ Partialdruck der Blausaeure ueber ihren wss. Loesungen bei 18grad. Vapour Systems (MCS)) Shirado; Bulletin of the Chemical Society of Japan; vol. 2; (1927); p. 91; Chem. Zentralbl.; vol. 98; nb. II; (1927); p. 392, View in Reaxys; Bredig; Shirado; Zeitschrift fuer Elektrochemie und Angewandte Physikalische Chemie; vol. 33; (1927); p. 210, View in Reaxys

11 of 11

Description (Liquid/ Vapour pressure diagram for the mixture Vapour Systems (MCS)) Partner (Liquid/Vapour Systems (MCS))

water

Bussy; Buignet; Annales de Chimie (Cachan, France); vol. <4> 3; (1864); p. 235,238, View in Reaxys; Lewis; Keyes; Journal of the American Chemical Society; vol. 40; (1918); p. 472, View in Reaxys; Lewis; Brighton; Journal of the American Chemical Society; vol. 40; (1918); p. 488, View in Reaxys; Naumann; Zeitschrift fuer Elektrochemie und Angewandte Physikalische Chemie; vol. 16; (1910); p. 195,778, View in Reaxys Magnetic Data (3) Description (Mag- References netic Data) Magnetic moment Jenkins et al.; Journal of Inorganic and Nuclear Chemistry; vol. 39; (1977); p. 213,219, View in Reaxys Magnetic properties

Gierke; Flygare; Journal of the American Chemical Society; vol. 94; (1972); p. 7277,7280, View in Reaxys; Garvey; De Lucia; Journal of Molecular Spectroscopy; vol. 50; (1974); p. 38, View in Reaxys

Anisotropy of magnetic susceptibility

Kato et al.; Chemical Physics Letters; vol. 13; (1972); p. 453, View in Reaxys; Gustafson; Gordy; Journal of Chemical Physics; vol. 58; (1973); p. 5181, View in Reaxys

Magnetic Susceptibility (1) References Weltner; Journal of Chemical Physics; vol. 28; (1958); p. 477, View in Reaxys; Kato et al.; Chemical Physics Letters; vol. 13; (1972); p. 453, View in Reaxys; Mukamel; Jortner; Journal of Chemical Physics; vol. 65; (1976); p. 3735,3746, View in Reaxys Mechanical Properties (4) Description (MeComment (Mechanical Properchanical Properties) ties)

References

Elastic properties

Kajita; European Physical Journal D; vol. 20; nb. 1; (2002); p. 55 - 59 ; (from Gmelin), View in Reaxys

Molar volume

Joliet, J. F.; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 252; (1961); p. 116 - 118, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 193, View in Reaxys; Edwards, D. E.; UCRL-7167 (1964) 118; N.S.A.; vol. 18; (1964); p. 41374, View in Reaxys; Edwards, D. E.; UCRL-7167 (1964) 29 ; (from Gmelin), View in Reaxys

Viscosity

Matsen; Johnson; Journal of Chemical and Engineering Data; vol. 5; (1960); p. 531, View in Reaxys; Bird; Journal of Chemical Physics; vol. 38; (1963); p. 2678, View in Reaxys; Stiel; Thodos; AIChE Journal; vol. 8; (1962); p. 229,230,231, View in Reaxys

Virial coefficients of the equation of state

(zweiter) bei 24grad und Drucken von 171 Torr bis 458 Torr.

Lange; Berga; Monatshefte fuer Chemie; vol. 81; (1950); p. 921,929, View in Reaxys

Molecular Deformation (13)

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Description (Molecular Deformation)

Comment (Molec- References ular Deformation)

Fundamental vibrations

Lindholm; Zeitschrift fuer Physik; vol. 109; (1938); p. 223, View in Reaxys; Allen et al.; Journal of Chemical Physics; vol. 25; (1956); p. 302,303,306, View in Reaxys; Maki; Blaine; Journal of Molecular Spectroscopy; vol. 12; (1964); p. 45, View in Reaxys; Wang; Overend; Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy; vol. 32; (1976); p. 1043,1046,1048-1056, View in Reaxys; Mielke, Zofia; Andrews, Lester; Journal of Physical Chemistry; vol. 94; nb. 9; (1990); p. 3519 - 3525, View in Reaxys; Serafin, J. G.; Friend, C. M.; Journal of Physical Chemistry; vol. 92; nb. 23; (1988); p. 6694 - 6700, View in Reaxys; Langel, W.; Kollhoff, H.; Knoezinger, E.; Journal of Chemical Physics; vol. 90; nb. 7; (1989); p. 3430 - 3442, View in Reaxys; Ebenstein, William L.; Muenter, J. S.; Journal of Chemical Physics; vol. 80; nb. 9; (1984); p. 3989 - 3991, View in Reaxys; DeLeon, Robert L.; Muenter, J. S.; Journal of Chemical Physics; vol. 80; nb. 9; (1984); p. 3992 - 3999, View in Reaxys; Abbate, Alison D.; Moore, C. Bradley; Journal of Chemical Physics; vol. 82; nb. 3; (1985); p. 1255 - 1262, View in Reaxys; Maroncelli, M.; Hopkins, G. A.; Nibler, J. W.; Dyke, T. R.; Journal of Chemical Physics; vol. 83; nb. 5; (1985); p. 2129 - 2146, View in Reaxys; Satoshi, Kudoh; Takayanagi, Masao; Nakata, Munetaka; Journal of Molecular Structure; vol. 413-414; (1997); p. 365 - 369, View in Reaxys; Misochko, Eugenii Ya.; Akimov, Alexander V.; Goldschleger, Ilya U.; Wight, Charles A.; Journal of Chemical Physics; vol. 116; nb. 23; (2002); p. 10307 - 10317, View in Reaxys; Hietanen, J.; Jolma, K.; Horneman, V. -M.; Journal of Molecular Spectroscopy; vol. 127; (1988); p. 272 - 274, View in Reaxys; Smith, Alice M.; Coy, Stephen L.; Klemperer, William; Journal of Molecular Spectroscopy; vol. 134; (1989); p. 134 - 153, View in Reaxys; Watson, James K. G.; Journal of Molecular Spectroscopy; vol. 132; (1988); p. 477 - 482, View in Reaxys; Meenakshi, A.; Innes, K. K.; Bickel, G. A.; Molecular Physics; vol. 68; (1989); p. 1179 1184, View in Reaxys; Baggott, James E.; Caldow, Gordon L.; Mills, Ian M.; Journal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics; vol. 84; (1988); p. 1407 - 1422, View in Reaxys; Brim, W. W.; Hoffman, J. M.; Nielsen, H. H.; Rao, K. N.; Journal of the Optical Society of America; vol. 50; (1960); p. 1208 - 1213, View in Reaxys; Choi, K. N.; Barker, E. F.; Physical Review; vol. 42; (1932); p. 777 785, View in Reaxys; Herbzberg, G.; Rev. Mod. Phys.; vol. 14; (1942); p. 219 - 223, View in Reaxys; Johns, J. C. W.; Canadian Journal of Physics; vol. 45; (1967); p. 2639 2650, View in Reaxys; Kortuem, G.; Verleger, H.; Proc. Phys. Soc. (London) A; vol. 63; (1950); p. 462 - 469, View in Reaxys; Maki, A. G.; Lide, D. R.; Journal of Chemical Physics; vol. 47; (1967); p. 3206 - 3210, View in Reaxys; Sverdlov, L. M.; Optika i Spektroskopiya; vol. 11; (1961); p. 18 - 20; Optika i Spektroskopiya; vol. 11; (1961); p. 35 - 40, View in Reaxys; Sverdlov, L. M.; Optika i Spektroskopiya; vol. 17; (1964); p. 515 - 516; Optika i Spektroskopiya; vol. 17; (1964); p. 947 - 949, View in Reaxys; Thorson, W. R.; Nakagawa, I.; Journal of Chemical Physics; vol. 33; (1960); p. 994 - 1004, View in Reaxys; Watson, W. W.; Margenau, H.; Physical Review; vol. 51; (1937); p. 48, View in Reaxys; vol. C: MVol.D1; 15.5.20, page 178 - 185, View in Reaxys; vol. C: MVol.D1; 15.5.8, page 167 - 170, View in Reaxys; vol. C: MVol.D1; 15.5.9, page 170 175, View in Reaxys; Gordy, W.; Smith, W. V.; Trambarulo, R. F.; Microwave Spectroscopy, New York - London 1953, S. 14, View in Reaxys; Herzberg, G.; Molecular Spectra and Molecular Structure II. Infrared and Raman Spectra of Polyatomic Molecules, Toronto - New York - London 1945,S. 174, View in Reaxys; Herzberg, G.; Molecular Spectra and Molecular Structure II. Infrared and Raman Spectra of Polyatomic Molecules, Toronto New York - London 1945,S. 279, View in Reaxys; Herzberg, G.; Molecular Spectra and Molecular Structure III. Electronic Spectra and Electronic Structure of Polyatomic Molecules, Princeton - Toronto - New York - London 1966, S. 588, View in Reaxys; Siebert, H.; Anwendungen der Schwingungsspektroskopie in der anorganischen Chemie, Berlin Heidelberg - New York 1966, S. 10/1, View in Reaxys; Siebert, H.; Anwendungen der Schwingungsspektroskopie in der anorganischen Chemie, Berlin - Heidelberg - New York 1966, S. 45, View in Reaxys; Stoicheff, B.; laut A. E. Douglas, D. Sharma (J. Chem. Phys. 21 (1953) 448/458, View in Reaxys; Arnold, Graham S.; Smith, Ian W. M.; Journal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics; vol. 77; (1981); p. 861 - 872, View in Reaxys; Choe, J.-I.; Tipton, T.; Kukolich, S. G.; Journal of Molecular Spectroscopy; vol. 117; (1986); p. 292 - 307, View in Reaxys; Gribov; Pavlyuchko; Lozenko; Journal of applied spectroscopy; vol. 36; nb. 1; (1982); p. 75 - 80, View in Reaxys; Smith, Ian W. M.; Journal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics; vol. 77; (1981); p. 2357 - 2364, View in Reaxys; Giertz; Borve; Baessler; Wiesner; Svensson; Karlsson; Saethre; Chemical Physics; vol. 277; nb. 1; (2002); p. 83 - 90, View in Reaxys; Stiles, Paul L.; Miller, Roger E.; Journal of Physical Chemistry A; vol. 111; nb. 31; (2007); p. 7382 7390 ; (from Gmelin), View in Reaxys

Centrifugal distortion

Jonas, David M.; Yang, Xueming; Wodtke, Alec M.; Journal of Chemical Physics; vol. 97; nb. 4; (1992); p. 2284 - 2298, View in Reaxys; Romanini, Daniele; Lehmann, Kevin

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K.; Journal of Chemical Physics; vol. 102; nb. 2; (1995); p. 633 - 642, View in Reaxys; Martinez; Lehmann, Kevin K; Carter, Stuart; The Journal of chemical physics; vol. 120; nb. 2; (2004); p. 691 - 703, View in Reaxys; Smith, Alice M.; Coy, Stephen L.; Klemperer, William; Journal of Molecular Spectroscopy; vol. 134; (1989); p. 134 - 153 ; (from Gmelin), View in Reaxys Rotational constants

Force constants

rotational constant B(0) = 4.4316E+10 Hz

DeLucia; Gordy; Physical Review; vol. 187; nb. 2; (1969); p. 58, View in Reaxys; Romanini, Daniele; Lehmann, Kevin K.; Journal of Chemical Physics; vol. 102; nb. 2; (1995); p. 633 - 642, View in Reaxys; Burrus, C. A.; Gordy, W.; Physical Review; vol. 101; (1956); p. 599 - 602, View in Reaxys; Maki, A. G.; Olson, W. B.; Sams, R. L.; J. Mol. Spectrosc.; vol. 36; (1970); p. 433 - 447, View in Reaxys; Rank, D. H.; Guenther, A. H.; Shearer, J. N.; Wiggins, T. A.; Journal of the Optical Society of America; vol. 47; (1957); p. 148 - 150, View in Reaxys; Rank, D. H.; Shearer, J. N.; Wiggins, T. A.; Physical Review; vol. 94; (1954); p. 575 - 578, View in Reaxys; vol. C: MVol.D1; 15.5.8, page 167 170, View in Reaxys; Gordy, W.; Smith, W. V.; Trambarulo, R. F.; Microwave Spectroscopy, New York - London 1953, S. 346/7 ; (from Gmelin), View in Reaxys Allen et al.; Journal of Chemical Physics; vol. 25; (1956); p. 302,303,306, View in Reaxys; Richardson; Journal of Chemical Physics; vol. 19; (1951); p. 1213, View in Reaxys; Gaughan; King; Journal of Chemical Physics; vol. 57; (1972); p. 4530,4532, View in Reaxys; Barnes; Berichte der Bunsen-Gesellschaft; vol. 82; (1978); p. 41,43, View in Reaxys; Herschbach; Laurie; Journal of Chemical Physics; vol. 35; (1961); p. 458,461, View in Reaxys; Machida; Overend; Journal of Chemical Physics; vol. 50; (1969); p. 4437,4438, View in Reaxys; Burden; Millen; Journal of the Chemical Society [Section] A: Inorganic, Physical, Theoretical; (1967); p. 1212, View in Reaxys; Suzuki et al.; Journal of Chemical Physics; vol. 44; (1966); p. 3561, View in Reaxys; O'Reilly; Journal of Chemical Physics; vol. 48; (1968); p. 1086, View in Reaxys; Freeman; Journal of Chemical Physics; vol. 49; (1968); p. 4250, View in Reaxys; O'Reilly; Journal of Chemical Physics; vol. 49; (1968); p. 4252, View in Reaxys; Namasivayam; Sankaran; Bulletin des Societes Chimiques Belges; vol. 88; (1979); p. 787,791, View in Reaxys; Nikolova; Jordanov; Journal of Molecular Structure; vol. 15; (1973); p. 19, View in Reaxys; Liu et al.; Journal of Chemical Physics; vol. 69; (1978); p. 1425, View in Reaxys; Mohan; Mueller; Journal of Molecular Structure; vol. 12; (1972); p. 275,280, View in Reaxys; Walsh et al.; Journal of Molecular Spectroscopy; vol. 72; (1978); p. 44, View in Reaxys; Friedrich; Krause; Journal of Chemical Physics; vol. 59; (1973); p. 4942, View in Reaxys; Murrell et al.; Molecular Physics; vol. 35; (1978); p. 1325,1327, View in Reaxys; Sams; Maki; Journal of Molecular Structure; vol. 26; (1975); p. 107,112,113, View in Reaxys; Ghosh; Journal of Molecular Structure; vol. 26; (1975); p. 343,344, View in Reaxys; Perrin et al.; Molecular Physics; vol. 29; (1975); p. 1261,1266, View in Reaxys; Strey; Mills; Molecular Physics; vol. 26; (1973); p. 129,132,136, View in Reaxys; King; Journal of Chemical Physics; vol. 57; (1972); p. 4535,4538, View in Reaxys; Bartlett; Parr; Journal of Chemical Physics; vol. 67; (1977); p. 5828, View in Reaxys; Wang; Overend; Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy; vol. 32; (1976); p. 1043,1046,1048-1056, View in Reaxys; Smith; Overend; Journal of Chemical Physics; vol. 55; (1971); p. 1157,1161, View in Reaxys; Butayev, B. S.; Lyutsarev, V. S.; Saakyan, A. S.; Spiridonov, V. P.; Journal of Molecular Structure; vol. 221; (1990); p. 149 - 157, View in Reaxys; Ohwada, Ken; Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy; vol. 37; nb. 6; (1981); p. 381 - 384, View in Reaxys; Ohwada, Ken; Suzuki, Kazuya; Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy; vol. 50; nb. 6; (1994); p. 1057 - 1064, View in Reaxys; Herrera, O. M.; Bruns, R. E.; Neto, B. B.; Journal of Chemical Physics; vol. 90; nb. 12; (1989); p. 6933 - 6939, View in Reaxys; Langel, W.; Kollhoff, H.; Knoezinger, E.; Journal of Chemical Physics; vol. 90; nb. 7; (1989); p. 3430 - 3442, View in Reaxys; Maroncelli, M.; Hopkins, G. A.; Nibler, J. W.; Dyke, T. R.; Journal of Chemical Physics; vol. 83; nb. 5; (1985); p. 2129 - 2146, View in Reaxys; Oles, Andrzej M.; Pfirsch, Frank; Boehm, Michael C.; Chemical Physics; vol. 120; (1988); p. 65 - 78, View in Reaxys; Meenakshi, A.; Innes, K. K.; Bickel, G. A.; Molecular Physics; vol. 68; (1989); p. 1179 - 1184, View in Reaxys; Baggott, James E.; Caldow, Gordon L.; Mills, Ian M.; Journal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics; vol. 84; (1988); p. 1407 - 1422, View in Reaxys; Bartunek, P. F.; Barker, E. F.; Physical Review; vol. 48; (1935); p. 516 - 521, View in Reaxys; Brooks, W.; Transactions of the Faraday Society; vol. 47; (1951); p. 1152 - 1157, View in Reaxys; Burden, F. R.; Millen, D. J.; Journal of the Chemical Society [Section] A: Inorganic, Physical, Theoretical; (1967); p. 1212 - 1217, View in Reaxys; Coulson, C. A.; Duchesne, J.; Manneback, C.; Nature (London, United Kingdom); vol. 160; (1947); p. 793 - 794, View in Reaxys; Douglas, A. E.; Sharma, D.; Journal of Chemical Physics; vol. 21; (1953); p. 448 - 458, View in Reaxys; Duchesne, J.; Monfils, A.; Journal of Chemical Physics; vol. 17; (1949); p. 586 - 587, View in Reaxys; Freeman, D. E.; Journal of Chemical Physics; vol. 49; (1968); p. 4250 - 4252, View in Reaxys; Heath, D. F.; Linnett, J. W.; Transactions of the Faraday Society; vol. 44; (1948); p. 556 - 561, View in Reaxys; Hyde, G. E.; Hornig, D. F.; Journal of Chemical Physics; vol. 20;

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(1952); p. 647 - 652, View in Reaxys; Morino, Y.; Hirota, E.; Bulletin of the Chemical Society of Japan; vol. 31; (1958); p. 423 - 427, View in Reaxys; Nakagawa, T.; Morino, Y.; Bulletin of the Chemical Society of Japan; vol. 42; (1969); p. 2212 - 2219, View in Reaxys; Penney, W. G.; Sutherland, G. B. B. M.; Proc. Roy. Soc. (London); vol. 156; (1936); p. 654 - 678, View in Reaxys; Pliva, J.; Collection of Czechoslovak Chemical Communications; vol. 23; (1958); p. 777 - 790, View in Reaxys; Rank, D. H.; Skorinko, G.; Eastman, D. P.; Wiggins, T. A.; Journal of the Optical Society of America; vol. 50; (1960); p. 421 - 432, View in Reaxys; vol. C: MVol.D1; 15.5.8, page 167 - 170, View in Reaxys; vol. C: MVol.D1; 15.5.9, page 170 - 175, View in Reaxys; Herzberg, G.; Molecular Spectra and Molecular Structure II. Infrared and Raman Spectra of Polyatomic Molecules, Toronto - New York - London 1945,S. 174, View in Reaxys; Yaroslavskaya, E. V.; Skotnikov, A. I.; Optics and Spectroscopy (Translation of Optika i Spektroskopiya); vol. 60; (1986); p. 392 - 393; Optika i Spektroskopiya; vol. 60; (1986); p. 646 - 647, View in Reaxys; Barnes, A. J.; Berichte der Bunsen-Gesellschaft fuer Physikalische Chemie; vol. 82; (1978); p. 45 - 46 ; (from Gmelin), View in Reaxys Anharmonicity constants

Rotational constants

Abbate, Alison D.; Moore, C. Bradley; Journal of Chemical Physics; vol. 82; nb. 3; (1985); p. 1255 - 1262, View in Reaxys; Smith, Alice M.; Coy, Stephen L.; Klemperer, William; Journal of Molecular Spectroscopy; vol. 134; (1989); p. 134 - 153, View in Reaxys; Choe, J.-I.; Tipton, T.; Kukolich, S. G.; Journal of Molecular Spectroscopy; vol. 117; (1986); p. 292 - 307 ; (from Gmelin), View in Reaxys rotational constant B(0) = 4.43159E+10 Hz

Vibration rotation interaction constants

Hietanen, J.; Jolma, K.; Horneman, V. -M.; Journal of Molecular Spectroscopy; vol. 127; (1988); p. 272 - 274, View in Reaxys; Rank, D. H.; Guenther, A. H.; Shearer, J. N.; Wiggins, T. A.; Journal of the Optical Society of America; vol. 47; (1957); p. 148 - 150, View in Reaxys; Rank, D. H.; Advan. Spectry.; vol. 1; (1959); p. 79 - 90, View in Reaxys; vol. C: MVol.D1; 15.5.8, page 167 - 170, View in Reaxys; Herzberg, G.; Molecular Spectra and Molecular Structure III. Electronic Spectra and Electronic Structure of Polyatomic Molecules, Princeton - Toronto - New York - London 1966, S. 588 ; (from Gmelin), View in Reaxys Lehmann, Kevin K.; Scherer, George J.; Klemperer, William; Journal of Chemical Physics; vol. 77; nb. 6; (1982); p. 2853 - 2861, View in Reaxys; Choe, J.-I.; Tipton, T.; Kukolich, S. G.; Journal of Molecular Spectroscopy; vol. 117; (1986); p. 292 - 307 ; (from Gmelin), View in Reaxys

Fundamental vibrations

des Molekuels: in Herzberg; Innes; Canad. J. Physics; vol. 35; (1957); p. 842,844, View in Reaxys einem angeregten Elektronenzustand.

Fundamental vibrations

des Molekuels: im Bradley et al.; Journal of Research of the National Bureau of Standards (United States); Elektronenvol. 56; (1956); p. 197, View in Reaxys Grundzustand.

Rotational constants

rotational constant B(0) = 4.43161E+10 Hz

Rank, D. H.; Bennett, J. M.; Bennett, H. E.; Journal of the Optical Society of America; vol. 46; (1956); p. 477 - 484, View in Reaxys; vol. C: MVol.D1; 15.5.8, page 167 - 170 ; (from Gmelin), View in Reaxys

Rotational constants

rotational constant B(0) = 4.43164E+10 Hz

Rank, D. H.; Shearer, J. N.; Wiggins, T. A.; Physical Review; vol. 94; (1954); p. 575 578, View in Reaxys; vol. C: MVol.D1; 15.5.8, page 167 - 170 ; (from Gmelin), View in Reaxys

Force constants

von Molekuelschwingungen.

Douglas; Sharma; Journal of Chemical Physics; vol. 21; (1953); p. 448,450, View in Reaxys; Hyde; Hornig; Journal of Chemical Physics; vol. 20; (1952); p. 647,651, View in Reaxys; Brooks; Transactions of the Faraday Society; vol. 47; (1951); p. 1152,1156, View in Reaxys; Linnell; Hoare; Transactions of the Faraday Society; vol. 45; (1949); p. 844,848, View in Reaxys; Thomas; Journal of Chemical Physics; vol. 19; (1951); p. 1162,1163, 1165, View in Reaxys

Rotational constants

rotational constant B(0) = 4.43183E+10 Hz

Rank, D. H.; Ruth, R. P.; Sluis, K. L. van der; Journal of the Optical Society of America; vol. 42; (1952); p. 693 - 698, View in Reaxys; vol. C: MVol.D1; 15.5.8, page 167 - 170 ; (from Gmelin), View in Reaxys

Comment (Optics)

References

Optics (4) Description (Optics) Electrooptical effect

Hansen, D. E.; Diss. Karlsruhe T. H. 1912, View in Reaxys; Bhattacharya, B. N.; Gordy, W.; Physical Review; vol. 119; (1960); p. 144 - 149, View in Reaxys; vol. C: MVol.D1; 15.4.26, page 162 - 167, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199, View in Reaxys; Starck, B.; Molekelkonstanten aus mikrowellenspektroskopischen Messungen in: Landolt-Boernstein, Neue Serie, Gruppe II: Atom- und Molekularphysik, Bd. 4, Berlin - Heidelberg - New York 1967, S. 138, View in Reaxys; Wolf, K. L.; Briegleb, G.;

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Stuart, H. A.; Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie; vol. 6; (1929); p. 163 - 209 ; (from Gmelin), View in Reaxys Magnetorotation

(λ: 578 nm).

Magnetooptical effect Electric birefringence (Kerr effect)

Gallais; Voigt; Journal de Chimie Physique et de Physico-Chimie Biologique; vol. 51; (1954); p. 56,57, View in Reaxys Gallais, F.; Voigt, D.; Journal de Chimie Physique et de Physico-Chimie Biologique; vol. 51; (1954); p. 56 - 59, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys

der gasfoermigen HCN.

Other Thermochemical Data (39) Description (Oth- Comment (Other er Thermochemi- Thermochemical cal Data) Data)

Leiser; Chem. Zentralbl.; vol. 83; nb. I; (1912); p. 199, View in Reaxys

References

Equation of state

De Visser, Sam P.; Journal of Physical Chemistry B; vol. 115; nb. 16; (2011); p. 4709 4717 ; (from Gmelin), View in Reaxys

Thermodynamic properties

Petke; Whitten; Journal of Chemical Physics; vol. 51; (1969); p. 3166,3171, View in Reaxys; Politzer et al.; Journal of Chemical Physics; vol. 70; (1979); p. 4400, View in Reaxys; Newton et al.; Journal of Chemical Physics; vol. 49; (1968); p. 5192, View in Reaxys; Hehre et al.; Journal of Chemical Physics; vol. 53; (1970); p. 932, View in Reaxys; Chesick; Journal of Chemical Physics; vol. 49; (1968); p. 3772, View in Reaxys; Chaturvedi; Rao; Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy; vol. 27; (1971); p. 2097, View in Reaxys; Pan; Allen; Journal of Chemical Physics; vol. 46; (1967); p. 1797, View in Reaxys; L.d. Amaral et al.; Journal of the American Chemical Society; vol. 94; (1972); p. 7579, View in Reaxys; Cottrell et al.; Transactions of the Faraday Society; vol. 61; (1965); p. 1632,1634, View in Reaxys; Gause; Montgomery; Journal of Chemical and Engineering Data; vol. 5; (1960); p. 351,352,353, View in Reaxys; Bonaccorsi et al.; Journal of Chemical Physics; vol. 48; (1968); p. 1500,1501-1507, View in Reaxys; del Conde; Novaro; Tetrahedron; vol. 28; (1972); p. 1789,1791, View in Reaxys; Wasil'ew et al.; Zhurnal Fizicheskoi Khimii; (1960); p. 840,841; Zhurnal Fizicheskoi Khimii; vol. 34; (1960); p. 1763, View in Reaxys; Boyd; Lipscomb; Journal of Chemical Physics; vol. 48; (1968); p. 4955,4958-4959,4961,4964,4967, View in Reaxys; McBride; Gordon; Journal of Chemical Physics; vol. 35; (1961); p. 2198, View in Reaxys; Radom et al.; Journal of the American Chemical Society; vol. 93; (1971); p. 289,292, View in Reaxys; Kumar et al.; Journal of Physical Chemistry; vol. 82; (1978); p. 1955,1957-1959, View in Reaxys; Ismail et al.; Journal of Chemical Physics; vol. 57; (1972); p. 5137,5139, View in Reaxys; Amourout et al.; Annales de Chimie (Cachan, France); vol. 1; nb. 15; (1976); p. 227, View in Reaxys; Bieri et al.; Chemical Physics; vol. 36; (1979); p. 1,9, View in Reaxys

Enthalpy

Snyder; Journal of Chemical Physics; vol. 46; (1967); p. 3602,3605, View in Reaxys; Dannhauser; Flueckinger; Journal of Chemical Physics; vol. 38; (1963); p. 69,71, View in Reaxys; Cocke et al.; Journal of the Chemical Society, Chemical Communications; (1973); p. 561, View in Reaxys; Jenkins et al.; Journal of Inorganic and Nuclear Chemistry; vol. 39; (1977); p. 213,219, View in Reaxys; Kumar et al.; Journal of Physical Chemistry; vol. 82; (1978); p. 1955,1957-1959, View in Reaxys

Entropy

Giauque; Ruehrwein; Journal of the American Chemical Society; vol. 61; (1939); p. 2626, View in Reaxys; Badger; Woo; Journal of the American Chemical Society; vol. 54; (1932); p. 3527, View in Reaxys; Davies; Matheson; Transactions of the Faraday Society; vol. 63; (1967); p. 596,599, View in Reaxys; Boughton; Keller; Journal of Inorganic and Nuclear Chemistry; vol. 28; (1966); p. 2851,2858, View in Reaxys; Christensen et al.; Journal of the Chemical Society [Section] A: Inorganic, Physical, Theoretical; (1970); p. 454, View in Reaxys; Kumar et al.; Journal of Physical Chemistry; vol. 82; (1978); p. 1955,1957-1959, View in Reaxys; Krestov; Russian Journal of Physical Chemistry; vol. 42; (1968); p. 452,455; ; p. 866, View in Reaxys

Gibbs free energy available as table; Gordon; Journal of Chemical Physics; vol. 5; (1937); p. 30, View in Reaxys; Kobe, K. Gaseous A.; Crawford, H. R.; Petrol. Refiner; vol. 37; nb. 7; (1958); p. 125 - 130, View in Reaxys; vol. C: MVol.D1; 15.4, page 124 - 127, View in Reaxys; Anonymous National Bureau of Standards; JANAF Thermochemical Tables, PB 168370 (1965), View in Reaxys; McBride, B. J.; Heimel, S.; Ehlers, J. G.; Gordon, S.; NASA-Sp-3001 (1963) 189; N.S.A.; vol. 17; (1963); p. 40775, View in Reaxys; Rossini, F. D.; Wagman, D. D.; Evans, W. H.; Levine, S.; Jaffe, I.; Natl. Bur. Std. (U.S.) Circ. Nr. 500 (1952) 110, View in Reaxys; Wicks, C. E.; Block, F. E.; U. S. Bur. Mines. Bull. Nr. 605 /1963) 56 ; (from Gmelin), View in Reaxys

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Gibbs free energy molar Gibbs ener- Kobe, K. A.; Crawford, H. R.; Petrol. Refiner; vol. 37; nb. 7; (1958); p. 125 - 130, gy of formation = View in Reaxys; vol. C: MVol.D1; 15.4, page 124 - 127 ; (from Gmelin), View in Reaxys 113130 J/mol; 227 Deg C; 760 Torr; Gaseous Gibbs free energy molar Gibbs energy of formation = 113218 J/mol; 227 Deg C; 760 Torr; Gaseous

Gibbs free energy molar Gibbs energy of formation = 120124 J/mol; 25 Deg C; 760 Torr; Gaseous

Gibbs free energy molar Gibbs ener- Kobe, K. A.; Crawford, H. R.; Petrol. Refiner; vol. 37; nb. 7; (1958); p. 125 - 130, gy of formation = View in Reaxys; vol. C: MVol.D1; 15.4, page 124 - 127 ; (from Gmelin), View in Reaxys 120120 J/mol; 25 Deg C; 760 Torr; Gaseous Gibbs free energy molar Gibbs energy of formation = 46878 J/mol; 2227 Deg C; 760 Torr; Gaseous

Gibbs free energy molar Gibbs energy of formation = 64666 J/mol; 1727 Deg C; 760 Torr; Gaseous

Gibbs free energy molar Gibbs ener- Kobe, K. A.; Crawford, H. R.; Petrol. Refiner; vol. 37; nb. 7; (1958); p. 125 - 130, gy of formation = View in Reaxys; vol. C: MVol.D1; 15.4, page 124 - 127 ; (from Gmelin), View in Reaxys 80490 J/mol; 1227 Deg C; 760 Torr; Gaseous Gibbs free energy molar Gibbs energy of formation = 82036 J/mol; 1227 Deg C; 760 Torr; Gaseous

Gibbs free energy molar Gibbs energy of formation = 96476 J/mol; 727 Deg C; 760 Torr; Gaseous

Gibbs free energy molar Gibbs ener- Kobe, K. A.; Crawford, H. R.; Petrol. Refiner; vol. 37; nb. 7; (1958); p. 125 - 130, gy of formation = View in Reaxys; vol. C: MVol.D1; 15.4, page 124 - 127 ; (from Gmelin), View in Reaxys 96520 J/mol; 727 Deg C; 760 Torr; Gaseous Gibbs free energy available as equation; Gaseous

Entropy

Kobe, K. A.; Crawford, H. R.; Petrol. Refiner; vol. 37; nb. 7; (1958); p. 125 - 130, View in Reaxys; vol. C: MVol.D1; 15.4, page 124 - 127 ; (from Gmelin), View in Reaxys

Cryoscopic constant

entropy of formation = 35.07 J/ (mol*K); 25.01 Deg C; 760 Torr

Lange; Berga; Monatshefte fuer Chemie; vol. 81; (1950); p. 921,929, View in Reaxys

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Cryoscopic constant

1.79 (fuer 1000g Loesungsmittel; aus Molekulargewichtsbestimmungen).

Jander,G.; Die Chemie in wasseraehnlichen Loesungsmitteln <Berlin 1949> S. 133-137, View in Reaxys; Jander; Scholz; Zeitschrift fuer Physikalische Chemie, Abteilung A: Chemische Thermodynamik, Kinetik, Elektrochemie, Eigenschaftslehre; vol. 192; (1943); p. 172,174, View in Reaxys

Enthalpy of crys- molar enthalpy of talline phase tran- transition = 17 J/ sition mol; -102.8 Deg C

vol. C: MVol.D1; 15.6, page 186 - 193, View in Reaxys; Rossini, F. D.; Wagman, D. D.; Evans, W. H.; Levine, S.; Jaffe, I.; Natl. Bur. Std. (U.S.) Circ. Nr. 500 (1952) 594 ; (from Gmelin), View in Reaxys

Entropy of crystal- molar entropy of line phase transi- transition = 0.084 tion J/(mol*K); -102.8 Deg C

Entropy of fusion

molar entropy of vol. C: MVol.D1; 15.6, page 186 - 193, View in Reaxys; Ribaud, M. G.; Publ. Sci. Tech. melting = 32.35 J/ Min. Air (France) Nr. 226 (1952) 119, View in Reaxys; Rossini; et al.; Natl. Bur. Std. (mol*K) (U.S.) Circ. Nr. 500 (1952) 594 ; (from Gmelin), View in Reaxys

Entropy of vapori- molar entropy of zation vaporization = 84.42 J/(mol*K)

vol. C: MVol.D1; 15.6, page 186 - 193, View in Reaxys; Ribaud, M. G.; Publ. Sci. Tech. Min. Air (France) Nr. 226 (1952) 119, View in Reaxys; Rossini; et al.; Natl. Bur. Std. (U.S.) Circ. Nr. 500 (1952) 594 ; (from Gmelin), View in Reaxys

Gibbs free energy molar Gibbs energy of formation = -31458 J/mol; 4727 Deg C; 760 Torr; Gaseous

Gibbs free energy molar Gibbs energy of formation = -63733 J/mol; 5727 Deg C; 760 Torr; Gaseous

Gibbs free energy molar Gibbs energy of formation = 113163 J/mol; 227 Deg C; 760 Torr; Gaseous

Gibbs free energy molar Gibbs ener- vol. C: MVol.D1; 15.4, page 124 - 127, View in Reaxys; Ribaud, M. G.; Publ. Sci. Tech. gy of formation = Min. Air (France) Nr. 266 (1952) 119 ; (from Gmelin), View in Reaxys 120120 J/mol; 25 Deg C; 760 Torr Gibbs free energy molar Gibbs energy of formation = 120141 J/mol; 25 Deg C; 760 Torr; Gaseous

Gibbs free energy molar Gibbs ener- vol. C: MVol.D1; 15.4, page 124 - 127, View in Reaxys; Rossini, F. D.; Wagman, D. D.; gy of formation = Evans, W. H.; Levine, S.; Jaffe, I.; Natl. Bur. Std. (U.S.) Circ. Nr. 500 (1952) 110 ; (from 120100 J/mol; Gmelin), View in Reaxys 25.01 Deg C; 760 Torr; Gaseous Gibbs free energy molar Gibbs ener- vol. C: MVol.D1; 15.4, page 124 - 127, View in Reaxys; Wagman, D. D.; Evans, W. H.; gy of formation = Parker, V. B.; Halow, I.; Bailey, S. M.; Schumm, R. H.; Natl. Bur. Std. (U.S.) Tech. Note 124700 J/mol; 25 270-3 (1968) 122 ; (from Gmelin), View in Reaxys Deg C; 760 Torr; Gaseous Gibbs free energy molar Gibbs ener- vol. C: MVol.D1; 15.4, page 124 - 127, View in Reaxys; Wagman, D. D.; Evans, W. H.; gy of formation = Parker, V. B.; Halow, I.; Bailey, S. M.; Schumm, R. H.; Natl. Bur. Std. (U.S.) Tech. Note 124980 J/mol; 25 270-3 (1968) 122 ; (from Gmelin), View in Reaxys Deg C; 760 Torr Gibbs free energy molar Gibbs ener- vol. C: MVol.D1; 15.4, page 124 - 127, View in Reaxys; Anonymous National Bureau gy of formation = of Standards; JANAF Thermochemical Tables, PB 168370 (1965), View in Reaxys; Ros16759 J/mol; sini, F. D.; Wagman, D. D.; Evans, W. H.; Levine, S.; Jaffe, I.; Natl. Bur. Std. (U.S.) Circ. Nr. 500 (1952) 110 ; (from Gmelin), View in Reaxys

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3227 Deg C; 760 Torr; Gaseous Gibbs free energy molar Gibbs energy of formation = 32756 J/mol; 2727 Deg C; 760 Torr; Gaseous

Gibbs free energy molar Gibbs energy of formation = 48677 J/mol; 2227 Deg C; 760 Torr; Gaseous

Gibbs free energy molar Gibbs energy of formation = 64578 J/mol; 1727 Deg C; 760 Torr; Gaseous

Gibbs free energy molar Gibbs energy of formation = 745 J/mol; 3727 Deg C; 760 Torr; Gaseous

Gibbs free energy molar Gibbs energy of formation = 80487 J/mol; 1227 Deg C; 760 Torr; Gaseous

Gibbs free energy molar Gibbs energy of formation = 96551 J/mol; 727 Deg C; 760 Torr; Gaseous

Entropy

vol. C: MVol.D1; 15.4, page 124 - 127, View in Reaxys; Ribaud, M. G.; Publ. Sci. Tech. Min. Air (France) Nr. 266 (1952) 119 ; (from Gmelin), View in Reaxys

entropy of formation = 35.07 J/ (mol*K); 25 Deg C; 760 Torr

Partition octan-1-ol/water (MCS) (1) 1 of 1

log POW

-0.35

Liao, Hongzhu; Shelor, C. Phillip; Dasgupta, Purnendu K.; Analytical Chemistry; vol. 88; nb. 9; (2016); p. 4965 4970, View in Reaxys Solubility (MCS) (10) 1 of 10

Comment (Solubility (MCS))

insol. in ether, acetone, CS2, CHCl3, CCl4, petroleum ether, benzene, nitrobenzene, dioxane, tetrahydrofurane and acetonitrile

Hummel, D.; Janssen, O.; Zeitschrift fuer Physikalische Chemie (Muenchen); vol. 31; (1962); p. 111 - 139, View in Reaxys; vol. C: MVol.D1; 18.3, page 252 - 255 ; (from Gmelin), View in Reaxys 2 of 10

Comment (Solubility (MCS))

insol. in inert solvents; sol. in formic acid

Hummel, D.; Janssen, O.; Zeitschrift fuer Physikalische Chemie (Muenchen); vol. 31; (1962); p. 111 - 139, View in Reaxys; vol. C: MVol.D1; 18.3, page 252 - 255 ; (from Gmelin), View in Reaxys 3 of 10

Comment (Solubility (MCS))

slightly sol. in H2O and CH3OH; very slightly sol. in ethanol, isopropanol; very sol. in dimethylformamide, pyridine, formic acid, acetic acid

Hummel, D.; Janssen, O.; Zeitschrift fuer Physikalische Chemie (Muenchen); vol. 31; (1962); p. 111 - 139, View in Reaxys; vol. C: MVol.D1; 18.3, page 252 - 255 ; (from Gmelin), View in Reaxys 4 of 10

Comment (Solubility (MCS))

sol. in SO2, HCl, HBr, acetonitrile, aniline, benzene, butanol, CHCl3, m-kresole, decylalcohol, dioxane, ethylenglykol, furfurole, methanol

Francis, A. W.; Journal of Physical Chemistry; vol. 63; (1959); p. 753 - 755, View in Reaxys; vol. C: MVol.D1; 15.11.11.7, page 224 - 242 ; (from Gmelin), View in Reaxys

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5 of 10

Comment (Solubility (MCS))

sol. in nitrobenzene, nitromethan, propylene, xylene, formic acid

Francis, A. W.; Journal of Physical Chemistry; vol. 63; (1959); p. 753 - 755, View in Reaxys; vol. C: MVol.D1; 15.11.11.7, page 224 - 242 ; (from Gmelin), View in Reaxys 6 of 10

Comment (Solubility (MCS))

insol. in H2O

Varner, J. E.; Burrell, R. C.; Euclides (Madrid); vol. 15; (1955); p. 1 - 8, View in Reaxys; vol. C: MVol.D1; 18.3, page 252 - 255 ; (from Gmelin), View in Reaxys 7 of 10

Solvent (Solubility (MCS))

H2O

Horiuchi; Tanabe; J. Res. Inst. Catalysis Hokkaido Univ.; vol. 1; (1951); p. 117, View in Reaxys 8 of 10

Comment (Solubility (MCS))

sol. in glacial acetic acid

Becker, E. W.; Vogell, W.; Zeitschrift fuer Naturforschung; vol. 5a; (1950); p. 174 - 175, View in Reaxys; Becker, E. W.; Vogell, W.; Zeitschrift fuer Physik; vol. 130; (1951); p. 129 - 138, View in Reaxys; vol. C: MVol.D1; 15.11.11.7, page 224 - 242 ; (from Gmelin), View in Reaxys 9 of 10

Comment (Solubility (MCS))

readily sol. in alcohols, ethers, ketones, monovalent acids,acid chlorides,N contained bases, benzene, nitrobenzene, chloroform, phenol, acetone

Buchanan, G. H.; Chimie et Industrie (Paris); vol. 28; (1932); p. 1024 - 1031, View in Reaxys; vol. C: MVol.D1; 15.11.11.7, page 224 - 242, View in Reaxys; Jander, G.; Die Chemie in wasseraehnlichen Loesungsmitteln, BerlinGoettingen- Heidelberg 1949, S.120-169 ; (from Gmelin), View in Reaxys 10 of 10

Comment (Solubility (MCS))

sol. in liquid H2S;

McIntosh, D.; Archibald, E.; Philosophical Transactions of the Royal Society of London; vol. A 205; (1905); p. 120 137, View in Reaxys; McIntosh, D.; Archibald, E.; Z. phys. Ch.; vol. 55; (1906); p. 129 - 150, View in Reaxys; McIntosh, D.; Archibald, E.; Z. phys. Ch.; vol. 55; (1906); p. 150 - 166, View in Reaxys; McIntosh, D.; Steele, B. D.; Philosophical Transactions of the Royal Society of London; vol. A 205; (1905); p. 99 - 120, View in Reaxys; vol. S: MVol.B1; 53, page 114 - 119 ; (from Gmelin), View in Reaxys Solution Behaviour (MCS) (22) 1 of 22

Description (Solution Behaviour (MCS))

Dissolving capacity

Temperature (Solution Behaviour (MCS)) [°C]

Partner (Solution Behaviour (MCS))

arsine

Corriez; Berton; Bulletin de la Societe Chimique de France; (1950); p. 43, View in Reaxys 2 of 22

Description (Solution Behaviour (MCS))

Miscibility

Partner (Solution Behaviour (MCS))

alcohols

Buchanan; Chimie et Industrie (Paris); vol. 28; (1932); p. 1025, View in Reaxys 3 of 22

Description (Solution Behaviour (MCS))

Miscibility

Partner (Solution Behaviour (MCS))

chloroform

Buchanan; Chimie et Industrie (Paris); vol. 28; (1932); p. 1025, View in Reaxys 4 of 22

Description (Solution Behaviour (MCS))

Miscibility

Partner (Solution Behaviour (MCS))

benzene

Buchanan; Chimie et Industrie (Paris); vol. 28; (1932); p. 1025, View in Reaxys 5 of 22

Description (Solution Behaviour (MCS))

Miscibility

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Partner (Solution Behaviour (MCS))

homologous/ues of benzene

Buchanan; Chimie et Industrie (Paris); vol. 28; (1932); p. 1025, View in Reaxys 6 of 22

Description (Solution Behaviour (MCS))

Miscibility

Partner (Solution Behaviour (MCS))

nitrobenzene

Buchanan; Chimie et Industrie (Paris); vol. 28; (1932); p. 1025, View in Reaxys 7 of 22

Description (Solution Behaviour (MCS))

Miscibility

Partner (Solution Behaviour (MCS))

tricresyl phosphate

Buchanan; Chimie et Industrie (Paris); vol. 28; (1932); p. 1025, View in Reaxys 8 of 22

Description (Solution Behaviour (MCS))

Miscibility

Partner (Solution Behaviour (MCS))

glycerol

Buchanan; Chimie et Industrie (Paris); vol. 28; (1932); p. 1025, View in Reaxys 9 of 22

Description (Solution Behaviour (MCS))

Dissolving capacity

Partner (Solution Behaviour (MCS))

SO2

Buchanan; Chimie et Industrie (Paris); vol. 28; (1932); p. 1025, View in Reaxys 10 of 22

Description (Solution Behaviour (MCS))

Dissolving capacity

Partner (Solution Behaviour (MCS))

hydrogen sulfide

Buchanan; Chimie et Industrie (Paris); vol. 28; (1932); p. 1025, View in Reaxys 11 of 22

Description (Solution Behaviour (MCS))

Dissolving capacity

Partner (Solution Behaviour (MCS))

carbon dioxide

Buchanan; Chimie et Industrie (Paris); vol. 28; (1932); p. 1025, View in Reaxys 12 of 22

Description (Solution Behaviour (MCS))

Dissolving capacity

Partner (Solution Behaviour (MCS))

phenol

Buchanan; Chimie et Industrie (Paris); vol. 28; (1932); p. 1025, View in Reaxys 13 of 22

Description (Solution Behaviour (MCS))

Dissolving capacity

Partner (Solution Behaviour (MCS))

cresols

Buchanan; Chimie et Industrie (Paris); vol. 28; (1932); p. 1025, View in Reaxys 14 of 22

Description (Solution Behaviour (MCS))

Dissolving capacity

Partner (Solution Behaviour (MCS))

β-naphthol

Buchanan; Chimie et Industrie (Paris); vol. 28; (1932); p. 1025, View in Reaxys 15 of 22

Description (Solution Behaviour (MCS))

Dissolving capacity

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Partner (Solution Behaviour (MCS))

formic acid

Buchanan; Chimie et Industrie (Paris); vol. 28; (1932); p. 1025, View in Reaxys 16 of 22

Description (Solution Behaviour (MCS))

Dissolving capacity

Partner (Solution Behaviour (MCS))

acetic acid

Buchanan; Chimie et Industrie (Paris); vol. 28; (1932); p. 1025, View in Reaxys 17 of 22

Description (Solution Behaviour (MCS))

Dissolving capacity

Partner (Solution Behaviour (MCS))

urea

Buchanan; Chimie et Industrie (Paris); vol. 28; (1932); p. 1025, View in Reaxys 18 of 22

Description (Solution Behaviour (MCS))

Dissolving capacity

Partner (Solution Behaviour (MCS))

cellulose acetate/s

Buchanan; Chimie et Industrie (Paris); vol. 28; (1932); p. 1025, View in Reaxys 19 of 22

Description (Solution Behaviour (MCS))

Dissolving capacity

Fredenhagen; Dahmlos; Zeitschrift fuer Anorganische und Allgemeine Chemie; vol. 179; (1929); p. 85, View in Reaxys; Fredenhagen; Zeitschrift fuer Physikalische Chemie, Stoechiometrie und Verwandtschaftslehre; vol. 128; (1927); p. 22,264, View in Reaxys 20 of 22

Description (Solution Behaviour (MCS))

Miscibility

Comment (Solution Behaviour (MCS))

es tritt Temperaturerniedrigung und Volumverminderung ein.

Partner (Solution Behaviour (MCS))

water

Bussy; Buignet; Annales de Chimie (Cachan, France); vol. <4> 3; (1864); p. 235,238, View in Reaxys 21 of 22

Description (Solution Behaviour (MCS))

Miscibility

Partner (Solution Behaviour (MCS))

ethanol

Bussy; Buignet; Annales de Chimie (Cachan, France); vol. <4> 3; (1864); p. 235,238, View in Reaxys 22 of 22

Description (Solution Behaviour (MCS))

Miscibility

Partner (Solution Behaviour (MCS))

diethyl ether

Bussy; Buignet; Annales de Chimie (Cachan, France); vol. <4> 3; (1864); p. 235,238, View in Reaxys Sound Properties (1) Description References (Sound Properties) Velocity of sound Space Group (5) Space Group

Bird; Journal of Chemical Physics; vol. 38; (1963); p. 2678, View in Reaxys; Cottrell et al.; Transactions of the Faraday Society; vol. 61; (1965); p. 1632,1634, View in Reaxys Comment (Space Group)

References

Dulmage; Lipscomb; Acta Crystallographica; vol. 4; (1951); p. 330, View in Reaxys

107

Dulmage; Lipscomb; Acta Crystallographica; vol. 4; (1951); p. 330, View in Reaxys

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a = 4.13 AngDulmage, W. J.; Lipscomb, W. N.; Acta Crystallographica; vol. 4; (1951); p. 330 - 334, stroem, b = 4.85 View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys Angstroem, c = 4.34 Angstroem; Z = 2; T = -120 Deg C; atomic positions available

107

a = 4.63 AngDulmage, W. J.; Lipscomb, W. N.; Acta Crystallographica; vol. 4; (1951); p. 330 - 334, stroem, c = 4.34 View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys Angstroem; Z = 2; T = -102.8 Deg C; atomic positions available

Surface Tension (16) Surface Tension Temperature [g·s-2] (Surface Tension) [°C]

Comment (Surface Tension)

References

17.78 - 22.16

-13.3 - 25

Coates; Davies; Journal of the Chemical Society; (1950); p. 1194,1197, View in Reaxys

17.78

Liquid

Coates, J. E.; Davies, R. H.; Journal of the Chemical Society; (1950); p. 1194 - 1199, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys

18.33

Liquid

Coates, J. E.; Davies, R. H.; Journal of the Chemical Society; (1950); p. 1194 - 1199, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys

18.56

Liquid

Coates, J. E.; Davies, R. H.; Journal of the Chemical Society; (1950); p. 1194 - 1199, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys

18.89

Liquid

Coates, J. E.; Davies, R. H.; Journal of the Chemical Society; (1950); p. 1194 - 1199, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys

19.45

Liquid

Coates, J. E.; Davies, R. H.; Journal of the Chemical Society; (1950); p. 1194 - 1199, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys

20.02

Liquid

Coates, J. E.; Davies, R. H.; Journal of the Chemical Society; (1950); p. 1194 - 1199, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys

20.62

Liquid

Coates, J. E.; Davies, R. H.; Journal of the Chemical Society; (1950); p. 1194 - 1199, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys

21.2

-5

Liquid

Coates, J. E.; Davies, R. H.; Journal of the Chemical Society; (1950); p. 1194 - 1199, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys

21.78

-10

Liquid

Coates, J. E.; Davies, R. H.; Journal of the Chemical Society; (1950); p. 1194 - 1199, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys

22.16

-13.3

Liquid

Coates, J. E.; Davies, R. H.; Journal of the Chemical Society; (1950); p. 1194 - 1199, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys

17.2

Bredig; Teichmann; Zeitschrift fuer Elektrochemie und Angewandte Physikalische Chemie; vol. 31; (1925); p. 452, View in Reaxys

18.2 - 19.1

10 - 17

Bredig; Teichmann; Zeitschrift fuer Elektrochemie und Angewandte Physikalische Chemie; vol. 31; (1925); p. 452, View in Reaxys

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17.2

Liquid

Bredig, G.; Teichmann, L.; Zeitschrift fuer Elektrochemie; vol. 31; (1925); p. 449 - 453, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys

18.2

Liquid

Bredig, G.; Teichmann, L.; Zeitschrift fuer Elektrochemie; vol. 31; (1925); p. 449 - 453, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys

19.1

Liquid

Bredig, G.; Teichmann, L.; Zeitschrift fuer Elektrochemie; vol. 31; (1925); p. 449 - 453, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys

Transition Point(s) of Crystalline Modification(s) (3) Temperature Change of Modifi- Comment (Transi- References (Transition cation tion Point(s) of Point(s) of CrysCrystalline Modifitalline Modificacation(s)) tion(s)) [°C]

-102.78

from tetragonal 6000000 Torr (high-pressure) to orthorhombic

Aoki, K.; Baer, B. J.; Cynn, H. C.; Nicol, M.; Physical Review B: Condensed Matter and Materials Physics; vol. 42; (1990); p. 4298 4303 ; (from Gmelin), View in Reaxys

from T-modification (low temp.) to H-modification (high temp.)

Pezolet, M.; Savoie, R.; Canadian Journal of Chemistry; vol. 47; (1969); p. 3041 - 3048, View in Reaxys; vol. C: MVol.D1; 15.5.20, page 178 - 185 ; (from Gmelin), View in Reaxys

-102.8

Giauque; Ruehrwein; Journal of the American Chemical Society; vol. 61; (1939); p. 2626, View in Reaxys; Dulmage, W. J.; Lipscomb, W. N.; Acta Crystallographica; vol. 4; (1951); p. 330 - 334, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys

Transport Data (27) Description Comment (Trans(Transport Data) port Data) Thermal conductivity

References Franck; Zeitschrift fuer Elektrochemie und Angewandte Physikalische Chemie; vol. 55; (1951); p. 636,639, View in Reaxys; Thijsse et al.; Physica A: Statistical Mechanics and Its Applications (Amsterdam, Netherlands); vol. 97; (1979); p. 467,494, View in Reaxys

Thermal conductivity

thermal conductivity = 0.01 cal/ (m*s*K); 400 Deg C; Gaseous

Senftleben, H.; Zeitschrift fuer Angewandte Physik; vol. 17; (1964); p. 86 - 87, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys

Thermal conductivity

thermal conductivity = 0.00235 cal/(m*s*K); 0 Deg C; Gaseous

Senftleben, H.; Zeitschrift fuer Angewandte Physik; vol. 17; (1964); p. 86 - 87, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys

Thermal conductivity

thermal conductivity = 0.00283 cal/(m*s*K); 25 Deg C; Gaseous

Senftleben, H.; Zeitschrift fuer Angewandte Physik; vol. 17; (1964); p. 86 - 87, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys

Thermal conductivity

thermal conducSenftleben, H.; Zeitschrift fuer Angewandte Physik; vol. 17; (1964); p. 86 - 87, tivity = 0.0033 cal/ View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys (m*s*K); 50 Deg C; Gaseous

Thermal conductivity

thermal conductivity = 0.00427 cal/(m*s*K); 100 Deg C; Gaseous

Senftleben, H.; Zeitschrift fuer Angewandte Physik; vol. 17; (1964); p. 86 - 87, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys

Thermal conductivity

thermal conductivity = 0.00522 cal/(m*s*K); 150 Deg C; Gaseous

Senftleben, H.; Zeitschrift fuer Angewandte Physik; vol. 17; (1964); p. 86 - 87, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys

Thermal conductivity

thermal conductivity = 0.00618

Senftleben, H.; Zeitschrift fuer Angewandte Physik; vol. 17; (1964); p. 86 - 87, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys

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cal/(m*s*K); 200 Deg C; Gaseous Thermal conductivity

thermal conductivity = 0.00809 cal/(m*s*K); 300 Deg C; Gaseous

Senftleben, H.; Zeitschrift fuer Angewandte Physik; vol. 17; (1964); p. 86 - 87, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys

Thermal conductivity

thermal conductivity = 0.011 cal/ (m*s*K); 427 Deg C; Gaseous

vol. C: MVol.D1; 15.8.7, page 193 - 199, View in Reaxys; Svehla, R. A.; NASA-TRR-132 (1962) 84; N.S.A.; vol. 16; (1962); p. 13210 ; (from Gmelin), View in Reaxys

Thermal conductivity

thermal conducvol. C: MVol.D1; 15.8.7, page 193 - 199, View in Reaxys; Svehla, R. A.; NASA-TRtivity = 0.0168 cal/ R-132 (1962) 84; N.S.A.; vol. 16; (1962); p. 13210 ; (from Gmelin), View in Reaxys (m*s*K); 727 Deg C; Gaseous

Thermal conductivity

thermal conductivity = 0.00229 cal/(m*s*K); -73 Deg C; Gaseous

vol. C: MVol.D1; 15.8.7, page 193 - 199, View in Reaxys; Svehla, R. A.; NASA-TRR-132 (1962) 84; N.S.A.; vol. 16; (1962); p. 13210 ; (from Gmelin), View in Reaxys

Thermal conductivity

thermal conductivity = 0.02589 cal/(m*s*K); 1227 Deg C; Gaseous

vol. C: MVol.D1; 15.8.7, page 193 - 199, View in Reaxys; Svehla, R. A.; NASA-TRR-132 (1962) 84; N.S.A.; vol. 16; (1962); p. 13210 ; (from Gmelin), View in Reaxys

Thermal conductivity

thermal conductivity = 0.03394 cal/(m*s*K); 1727 Deg C; Gaseous

vol. C: MVol.D1; 15.8.7, page 193 - 199, View in Reaxys; Svehla, R. A.; NASA-TRR-132 (1962) 84; N.S.A.; vol. 16; (1962); p. 13210 ; (from Gmelin), View in Reaxys

Thermal conductivity

thermal conductivity = 0.00375 cal/(m*s*K); 27 Deg C; Gaseous

vol. C: MVol.D1; 15.8.7, page 193 - 199, View in Reaxys; Svehla, R. A.; NASA-TRR-132 (1962) 84; N.S.A.; vol. 16; (1962); p. 13210 ; (from Gmelin), View in Reaxys

Thermal conductivity

thermal conducvol. C: MVol.D1; 15.8.7, page 193 - 199, View in Reaxys; Svehla, R. A.; NASA-TRtivity = 0.0476 cal/ R-132 (1962) 84; N.S.A.; vol. 16; (1962); p. 13210 ; (from Gmelin), View in Reaxys (m*s*K); 2727 Deg C; Gaseous

Thermal conductivity

thermal conductivity = 0.00544 cal/(m*s*K); 127 Deg C; Gaseous

vol. C: MVol.D1; 15.8.7, page 193 - 199, View in Reaxys; Svehla, R. A.; NASA-TRR-132 (1962) 84; N.S.A.; vol. 16; (1962); p. 13210 ; (from Gmelin), View in Reaxys

Thermal conductivity

thermal conductivity = 0.05941 cal/(m*s*K); 3727 Deg C; Gaseous

vol. C: MVol.D1; 15.8.7, page 193 - 199, View in Reaxys; Svehla, R. A.; NASA-TRR-132 (1962) 84; N.S.A.; vol. 16; (1962); p. 13210 ; (from Gmelin), View in Reaxys

Thermal conductivity

thermal conductivity = 0.07007 cal/(m*s*K); 4727 Deg C; Gaseous

vol. C: MVol.D1; 15.8.7, page 193 - 199, View in Reaxys; Svehla, R. A.; NASA-TRR-132 (1962) 84; N.S.A.; vol. 16; (1962); p. 13210 ; (from Gmelin), View in Reaxys

Thermal conductivity

thermal conductivity = 0.00723 cal/(m*s*K); 227 Deg C; Gaseous

vol. C: MVol.D1; 15.8.7, page 193 - 199, View in Reaxys; Svehla, R. A.; NASA-TRR-132 (1962) 84; N.S.A.; vol. 16; (1962); p. 13210 ; (from Gmelin), View in Reaxys

Thermal conductivity

thermal conducvol. C: MVol.D1; 15.8.7, page 193 - 199, View in Reaxys; Svehla, R. A.; NASA-TRtivity = 0.0091 cal/ R-132 (1962) 84; N.S.A.; vol. 16; (1962); p. 13210 ; (from Gmelin), View in Reaxys (m*s*K); 327 Deg C; Gaseous

Thermal conductivity

thermal conductivity = 0.00264 cal/(m*s*K); -0.1 Deg C; Gaseous

Franck, E. U.; Zeitschrift fuer Elektrochemie; vol. 55; (1951); p. 636 - 643, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys

Thermal conductivity

thermal conductivity = 0.00298

Franck, E. U.; Zeitschrift fuer Elektrochemie; vol. 55; (1951); p. 636 - 643, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys

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cal/(m*s*K); 27 Deg C; Gaseous Thermal conductivity

thermal conductivity = 0.00363 cal/(m*s*K); 77 Deg C; Gaseous

Franck, E. U.; Zeitschrift fuer Elektrochemie; vol. 55; (1951); p. 636 - 643, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys

Thermal conductivity

thermal conductivity = 0.00429 cal/(m*s*K); 127 Deg C; Gaseous

Franck, E. U.; Zeitschrift fuer Elektrochemie; vol. 55; (1951); p. 636 - 643, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys

Thermal conductivity

thermal conductivity = 0.00508 cal/(m*s*K); 177 Deg C; Gaseous

Franck, E. U.; Zeitschrift fuer Elektrochemie; vol. 55; (1951); p. 636 - 643, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys

Thermal conductivity

thermal conductivity = 0.006 cal/ (m*s*K); 227 Deg C; Gaseous

Franck, E. U.; Zeitschrift fuer Elektrochemie; vol. 55; (1951); p. 636 - 643, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199 ; (from Gmelin), View in Reaxys

Transport Phenomena (MCS) (29) 1 of 29

Description (Transport Phenomena (MCS))

Diffusion

Roffel; Van de Graaf; Journal of Chemical and Engineering Data; vol. 22; (1977); p. 300, View in Reaxys 2 of 29

Description (Transport Phenomena (MCS))

Diffusion coefficient

Temperature (Transport 0 Phenomena (MCS)) [°C] Comment (Transport Phenomena (MCS))

diffusion coefficient = 0.126 cm**2/s

Partner (Transport Phenomena (MCS))

HCN

Andrussow, L.; Zeitschrift fuer Elektrochemie; vol. 54; (1950); p. 566 - 571, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193, View in Reaxys; Andrussow, L.; Z. Physik. Chem.; vol. 199; (1952); p. 314 - 329 ; (from Gmelin), View in Reaxys 3 of 29

Description (Transport Phenomena (MCS))

Diffusion coefficient

Comment (Transport Phenomena (MCS))

diffusion coefficient = 0.53 cm**2/s

Partner (Transport Phenomena (MCS))

Andrussow, L.; Zeitschrift fuer Elektrochemie; vol. 55; (1951); p. 51 - 53, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys 4 of 29

Description (Transport Phenomena (MCS))

Diffusion coefficient

Temperature (Transport 0 Phenomena (MCS)) [°C] Comment (Transport Phenomena (MCS))

diffusion coefficient = 0.117 cm**2/s

Partner (Transport Phenomena (MCS))

CO2

Andrussow, L.; Zeitschrift fuer Elektrochemie; vol. 54; (1950); p. 566 - 571, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys 5 of 29

Description (Transport Phenomena (MCS))

Diffusion coefficient

Temperature (Transport 0 Phenomena (MCS)) [°C]

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Comment (Transport Phenomena (MCS))

diffusion coefficient = 1.565 cm**2/s

Partner (Transport Phenomena (MCS))

Andrussow, L.; Zeitschrift fuer Elektrochemie; vol. 54; (1950); p. 566 - 571, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys 6 of 29

Description (Transport Phenomena (MCS))

Diffusion coefficient

Temperature (Transport 0 Phenomena (MCS)) [°C] Comment (Transport Phenomena (MCS))

diffusion coefficient = 0.129 cm**2/s

Partner (Transport Phenomena (MCS))

Andrussow, L.; Zeitschrift fuer Elektrochemie; vol. 54; (1950); p. 566 - 571, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys 7 of 29

Description (Transport Phenomena (MCS))

Diffusion coefficient

Temperature (Transport 800 Phenomena (MCS)) [°C] Comment (Transport Phenomena (MCS))

diffusion coefficient = 1.435 cm**2/s

Partner (Transport Phenomena (MCS))

Andrussow, L.; Zeitschrift fuer Elektrochemie; vol. 54; (1950); p. 566 - 571, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys 8 of 29

Description (Transport Phenomena (MCS))

Diffusion coefficient

Temperature (Transport 800 Phenomena (MCS)) [°C] Comment (Transport Phenomena (MCS))

diffusion coefficient = 1.474 cm**2/s

Partner (Transport Phenomena (MCS))

Andrussow, L.; Zeitschrift fuer Elektrochemie; vol. 54; (1950); p. 566 - 571, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys 9 of 29

Description (Transport Phenomena (MCS))

Diffusion coefficient

Temperature (Transport 1000 Phenomena (MCS)) [°C] Comment (Transport Phenomena (MCS))

diffusion coefficient = 1.94 cm**2/s

Partner (Transport Phenomena (MCS))

Andrussow, L.; Zeitschrift fuer Elektrochemie; vol. 54; (1950); p. 566 - 571, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys 10 of 29

Description (Transport Phenomena (MCS))

Diffusion coefficient

Temperature (Transport 1000 Phenomena (MCS)) [°C] Comment (Transport Phenomena (MCS))

diffusion coefficient = 2 cm**2/s

160/296

2018-01-18 00:45:07

Partner (Transport Phenomena (MCS))

Andrussow, L.; Zeitschrift fuer Elektrochemie; vol. 54; (1950); p. 566 - 571, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys 11 of 29

Description (Transport Phenomena (MCS))

Diffusion coefficient

Temperature (Transport 0 Phenomena (MCS)) [°C] Comment (Transport Phenomena (MCS))

diffusion coefficient = 0.1563 cm**2/s

Partner (Transport Phenomena (MCS))

Andrussow, L.; Zeitschrift fuer Elektrochemie; vol. 54; (1950); p. 566 - 571, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys 12 of 29

Description (Transport Phenomena (MCS))

Diffusion coefficient

Temperature (Transport 800 Phenomena (MCS)) [°C] Comment (Transport Phenomena (MCS))

diffusion coefficient = 1.74 cm**2/s

Partner (Transport Phenomena (MCS))

Andrussow, L.; Zeitschrift fuer Elektrochemie; vol. 54; (1950); p. 566 - 571, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys 13 of 29

Description (Transport Phenomena (MCS))

Diffusion coefficient

Temperature (Transport 800 Phenomena (MCS)) [°C] Comment (Transport Phenomena (MCS))

diffusion coefficient = 1.786 cm**2/s

Partner (Transport Phenomena (MCS))

Andrussow, L.; Zeitschrift fuer Elektrochemie; vol. 54; (1950); p. 566 - 571, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys 14 of 29

Description (Transport Phenomena (MCS))

Diffusion coefficient

Temperature (Transport 1000 Phenomena (MCS)) [°C] Comment (Transport Phenomena (MCS))

diffusion coefficient = 2.35 cm**2/s

Partner (Transport Phenomena (MCS))

Andrussow, L.; Zeitschrift fuer Elektrochemie; vol. 54; (1950); p. 566 - 571, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys 15 of 29

Description (Transport Phenomena (MCS))

Diffusion coefficient

Temperature (Transport 1000 Phenomena (MCS)) [°C] Comment (Transport Phenomena (MCS))

diffusion coefficient = 2.42 cm**2/s

Partner (Transport Phenomena (MCS))

161/296

2018-01-18 00:45:07

Andrussow, L.; Zeitschrift fuer Elektrochemie; vol. 54; (1950); p. 566 - 571, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys 16 of 29

Description (Transport Phenomena (MCS))

Diffusion coefficient

Temperature (Transport 0 Phenomena (MCS)) [°C] Comment (Transport Phenomena (MCS))

diffusion coefficient = 0.146 cm**2/s

Partner (Transport Phenomena (MCS))

air

Andrussow, L.; Zeitschrift fuer Elektrochemie; vol. 54; (1950); p. 566 - 571, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys 17 of 29

Description (Transport Phenomena (MCS))

Diffusion coefficient

Temperature (Transport 800 Phenomena (MCS)) [°C] Comment (Transport Phenomena (MCS))

diffusion coefficient = 1.624 cm**2/s

Partner (Transport Phenomena (MCS))

air

Andrussow, L.; Zeitschrift fuer Elektrochemie; vol. 54; (1950); p. 566 - 571, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys 18 of 29

Description (Transport Phenomena (MCS))

Diffusion coefficient

Temperature (Transport 800 Phenomena (MCS)) [°C] Comment (Transport Phenomena (MCS))

diffusion coefficient = 1.67 cm**2/s

Partner (Transport Phenomena (MCS))

air

Andrussow, L.; Zeitschrift fuer Elektrochemie; vol. 54; (1950); p. 566 - 571, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys 19 of 29

Description (Transport Phenomena (MCS))

Diffusion coefficient

Temperature (Transport 1000 Phenomena (MCS)) [°C] Comment (Transport Phenomena (MCS))

diffusion coefficient = 2.194 cm**2/s

Partner (Transport Phenomena (MCS))

air

Andrussow, L.; Zeitschrift fuer Elektrochemie; vol. 54; (1950); p. 566 - 571, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys 20 of 29

Description (Transport Phenomena (MCS))

Diffusion coefficient

Temperature (Transport 1000 Phenomena (MCS)) [°C] Comment (Transport Phenomena (MCS))

diffusion coefficient = 2.26 cm**2/s

Partner (Transport Phenomena (MCS))

air

Andrussow, L.; Zeitschrift fuer Elektrochemie; vol. 54; (1950); p. 566 - 571, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys

162/296

2018-01-18 00:45:07

21 of 29

Description (Transport Phenomena (MCS))

Diffusion

Partner (Transport Phenomena (MCS))

CO2

Andrussow, L.; Zeitschrift fuer Elektrochemie; vol. 54; (1950); p. S566 - S571, View in Reaxys; vol. C: MVol.C1; 215, page 548 - 568 ; (from Gmelin), View in Reaxys 22 of 29

Description (Transport Phenomena (MCS))

Diffusion

Temperature (Transport 0 Phenomena (MCS)) [°C] Partner (Transport Phenomena (MCS))

air

Klotz; Miller; Journal of the American Chemical Society; vol. 69; (1947); p. 2557, View in Reaxys 23 of 29

Description (Transport Phenomena (MCS))

Diffusion coefficient

Temperature (Transport 0 Phenomena (MCS)) [°C] Comment (Transport Phenomena (MCS))

diffusion coefficient = 0.173 cm**2/s

Partner (Transport Phenomena (MCS))

air

Klotz; Miller; Journal of the American Chemical Society; vol. 69; (1947); p. 2557, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys 24 of 29

Description (Transport Phenomena (MCS))

Viscosity

Temperature (Transport 0 Phenomena (MCS)) [°C] Partner (Transport Phenomena (MCS))

water

Opytchtina; Frost; Zhurnal Obshchei Khimii; vol. 6; (1936); p. 1779; Chem. Zentralbl.; vol. 108; nb. II; (1937); p. 1355, View in Reaxys 25 of 29

Description (Transport Phenomena (MCS))

Diffusion coefficient

Temperature (Transport 727 - 927 Phenomena (MCS)) [°C] Comment (Transport Phenomena (MCS))

diffusion coefficient = 0.31 cm**2/s

Partner (Transport Phenomena (MCS))

vol. C: MVol.D1; 15.6, page 186 - 193, View in Reaxys; Zumwalt, L. R.; Burnette, R. D.; Riedinger, A. B.; in: Corrosion of Reactor Materials, Bd. 2, Wien 1962, S. 345/72 ; (from Gmelin), View in Reaxys 26 of 29

Description (Transport Phenomena (MCS))

Diffusion coefficient

Temperature (Transport 927 - 1127 Phenomena (MCS)) [°C] Comment (Transport Phenomena (MCS))

diffusion coefficient = 0.41 cm**2/s

Partner (Transport Phenomena (MCS))

Description (Transport Phenomena (MCS))

Diffusion coefficient

163/296

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Temperature (Transport 1127 - 1327 Phenomena (MCS)) [°C] Comment (Transport Phenomena (MCS))

diffusion coefficient = 0.52 cm**2/s

Partner (Transport Phenomena (MCS))

Description (Transport Phenomena (MCS))

Diffusion coefficient

Temperature (Transport 1327 - 1527 Phenomena (MCS)) [°C] Comment (Transport Phenomena (MCS))

diffusion coefficient = 0.65 cm**2/s

Partner (Transport Phenomena (MCS))

Description (Transport Phenomena (MCS))

Diffusion coefficient

Temperature (Transport 1527 - 1727 Phenomena (MCS)) [°C] Comment (Transport Phenomena (MCS))

diffusion coefficient = 0.79 cm**2/s

Partner (Transport Phenomena (MCS))

References

-13.32

Lange; Berga; Monatshefte fuer Chemie; vol. 81; (1950); p. 921,929, View in Reaxys

Vapour Pressure (109) Vapour Pressure Temperature (Va[Torr] pour Pressure) [°C]

Comment (Vapour Pressure)

References

10518

120

Liquid

vol. C: MVol.D1; 15.6, page 186 - 193, View in Reaxys; Edwards, D. G.; UCRL-7167 (1964) 120; N.S.A.; vol. 18; (1964); p. 41374 ; (from Gmelin), View in Reaxys

10579

120

Liquid

vol. C: MVol.D1; 15.6, page 186 - 193, View in Reaxys; Edwards, D. G.; UCRL-7167 (1964) 120; N.S.A.; vol. 18; (1964); p. 41374 ; (from Gmelin), View in Reaxys

1262

Liquid

vol. C: MVol.D1; 15.6, page 186 - 193, View in Reaxys; Edwards, D. G.; UCRL-7167 (1964) 120; N.S.A.; vol. 18; (1964); p. 41374 ; (from Gmelin), View in Reaxys

1269

Liquid

vol. C: MVol.D1; 15.6, page 186 - 193, View in Reaxys; Edwards, D. G.; UCRL-7167 (1964) 120; N.S.A.; vol. 18; (1964); p. 41374 ; (from Gmelin), View in Reaxys

16180

140

Liquid

vol. C: MVol.D1; 15.6, page 186 - 193, View in Reaxys; Edwards, D. G.; UCRL-7167 (1964) 120; N.S.A.; vol. 18; (1964); p. 41374 ; (from Gmelin), View in Reaxys

17054

140

Liquid

vol. C: MVol.D1; 15.6, page 186 - 193, View in Reaxys; Edwards, D. G.; UCRL-7167 (1964) 120; N.S.A.; vol. 18; (1964); p. 41374 ; (from Gmelin), View in Reaxys

164/296

2018-01-18 00:45:07

1756

Liquid

vol. C: MVol.D1; 15.6, page 186 - 193, View in Reaxys; Edwards, D. G.; UCRL-7167 (1964) 120; N.S.A.; vol. 18; (1964); p. 41374 ; (from Gmelin), View in Reaxys

1771

Liquid

vol. C: MVol.D1; 15.6, page 186 - 193, View in Reaxys; Edwards, D. G.; UCRL-7167 (1964) 120; N.S.A.; vol. 18; (1964); p. 41374 ; (from Gmelin), View in Reaxys

2379

Liquid

vol. C: MVol.D1; 15.6, page 186 - 193, View in Reaxys; Edwards, D. G.; UCRL-7167 (1964) 120; N.S.A.; vol. 18; (1964); p. 41374 ; (from Gmelin), View in Reaxys

23970

160

Liquid

vol. C: MVol.D1; 15.6, page 186 - 193, View in Reaxys; Edwards, D. G.; UCRL-7167 (1964) 120; N.S.A.; vol. 18; (1964); p. 41374 ; (from Gmelin), View in Reaxys

2417

Liquid

vol. C: MVol.D1; 15.6, page 186 - 193, View in Reaxys; Edwards, D. G.; UCRL-7167 (1964) 120; N.S.A.; vol. 18; (1964); p. 41374 ; (from Gmelin), View in Reaxys

24829

160

Liquid

vol. C: MVol.D1; 15.6, page 186 - 193, View in Reaxys; Edwards, D. G.; UCRL-7167 (1964) 120; N.S.A.; vol. 18; (1964); p. 41374 ; (from Gmelin), View in Reaxys

3146

Liquid

vol. C: MVol.D1; 15.6, page 186 - 193, View in Reaxys; Edwards, D. G.; UCRL-7167 (1964) 120; N.S.A.; vol. 18; (1964); p. 41374 ; (from Gmelin), View in Reaxys

3245

Liquid

vol. C: MVol.D1; 15.6, page 186 - 193, View in Reaxys; Edwards, D. G.; UCRL-7167 (1964) 120; N.S.A.; vol. 18; (1964); p. 41374 ; (from Gmelin), View in Reaxys

37012

183.5

Liquid

vol. C: MVol.D1; 15.6, page 186 - 193, View in Reaxys; Edwards, D. G.; UCRL-7167 (1964) 120; N.S.A.; vol. 18; (1964); p. 41374 ; (from Gmelin), View in Reaxys

37156

183.5

Liquid

vol. C: MVol.D1; 15.6, page 186 - 193, View in Reaxys; Edwards, D. G.; UCRL-7167 (1964) 120; N.S.A.; vol. 18; (1964); p. 41374 ; (from Gmelin), View in Reaxys

4074

Liquid

vol. C: MVol.D1; 15.6, page 186 - 193, View in Reaxys; Edwards, D. G.; UCRL-7167 (1964) 120; N.S.A.; vol. 18; (1964); p. 41374 ; (from Gmelin), View in Reaxys

4279

Liquid

vol. C: MVol.D1; 15.6, page 186 - 193, View in Reaxys; Edwards, D. G.; UCRL-7167 (1964) 120; N.S.A.; vol. 18; (1964); p. 41374 ; (from Gmelin), View in Reaxys

5236

Liquid

vol. C: MVol.D1; 15.6, page 186 - 193, View in Reaxys; Edwards, D. G.; UCRL-7167 (1964) 120; N.S.A.; vol. 18; (1964); p. 41374 ; (from Gmelin), View in Reaxys

5563

Liquid

vol. C: MVol.D1; 15.6, page 186 - 193, View in Reaxys; Edwards, D. G.; UCRL-7167 (1964) 120; N.S.A.; vol. 18; (1964); p. 41374 ; (from Gmelin), View in Reaxys

6673

100

Liquid

vol. C: MVol.D1; 15.6, page 186 - 193, View in Reaxys; Edwards, D. G.; UCRL-7167 (1964) 120; N.S.A.; vol. 18; (1964); p. 41374 ; (from Gmelin), View in Reaxys

7129

100

Liquid

vol. C: MVol.D1; 15.6, page 186 - 193, View in Reaxys; Edwards, D. G.; UCRL-7167 (1964) 120; N.S.A.; vol. 18; (1964); p. 41374 ; (from Gmelin), View in Reaxys

760

25.7

Liquid

vol. C: MVol.D1; 15.6, page 186 - 193, View in Reaxys; Edwards, D. G.; UCRL-7167 (1964) 120; N.S.A.; vol. 18; (1964); p. 41374, View in Reaxys; Ribaud, M. G.; Publ. Sci. Tech. Min. Air (France) Nr. 266 (1952) 119 ; (from Gmelin), View in Reaxys

889

Liquid

vol. C: MVol.D1; 15.6, page 186 - 193, View in Reaxys; Edwards, D. G.; UCRL-7167 (1964) 120; N.S.A.; vol. 18; (1964); p. 41374 ; (from Gmelin), View in Reaxys

vapor pressure table; vapor pres-

Lewis; Schutz; Journal of the American Chemical Society; vol. 56; (1934); p. 1002, View in Reaxys; Giauque; Ruehrwein; Journal of the American Chemical Society; vol. 61; (1939); p. 2626,

165/296

2018-01-18 00:45:07

sure equation; Liquid

View in Reaxys; Bredig, G.; Teichmann, L.; Zeitschrift fuer Elektrochemie; vol. 31; (1925); p. 449 - 453, View in Reaxys; Perry, J. H.; Porter, F. J.; Journal of the American Chemical Society; vol. 48; (1926); p. 299 - 302, View in Reaxys; Sinozaki, H.; Hara, R.; Mitsukuri, S.; Tech. Rept. Tokohu Imp. Univ.; vol. 6; (1926); p. 157 - 167, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193, View in Reaxys; Edwards, D. G.; UCRL-7167 (1964) 120; N.S.A.; vol. 18; (1964); p. 41374 ; (from Gmelin), View in Reaxys

139.7

-13.3

Lange; Berga; Monatshefte fuer Chemie; vol. 81; (1950); p. 921,929, View in Reaxys

66 - 263.8

-24.2 - 0.1

Lange; Berga; Monatshefte fuer Chemie; vol. 81; (1950); p. 921,929, View in Reaxys

151.8

-11.5

Liquid

Lange, J.; Berga, J.; Monatshefte fuer Chemie; vol. 81; (1950); p. 921 - 938, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys

173.4

-8.9

Liquid

Lange, J.; Berga, J.; Monatshefte fuer Chemie; vol. 81; (1950); p. 921 - 938, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys

201.7

-5.9

Liquid

Lange, J.; Berga, J.; Monatshefte fuer Chemie; vol. 81; (1950); p. 921 - 938, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys

240.2

-2

Liquid

Lange, J.; Berga, J.; Monatshefte fuer Chemie; vol. 81; (1950); p. 921 - 938, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys

263.8

0.05

Liquid

Lange, J.; Berga, J.; Monatshefte fuer Chemie; vol. 81; (1950); p. 921 - 938, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys

103.3

-17.7

Solid

Lange, J.; Berga, J.; Monatshefte fuer Chemie; vol. 81; (1950); p. 921 - 938, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys

122.2

-15.2

Solid

Lange, J.; Berga, J.; Monatshefte fuer Chemie; vol. 81; (1950); p. 921 - 938, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys

139.7

-13.2

Solid

Lange, J.; Berga, J.; Monatshefte fuer Chemie; vol. 81; (1950); p. 921 - 938, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys

-24.2

Solid

Lange, J.; Berga, J.; Monatshefte fuer Chemie; vol. 81; (1950); p. 921 - 938, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys

84.3

-20.8

Solid

Lange, J.; Berga, J.; Monatshefte fuer Chemie; vol. 81; (1950); p. 921 - 938, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys

vapor pressure table; Liquid

Lange, J.; Berga, J.; Monatshefte fuer Chemie; vol. 81; (1950); p. 921 - 938, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193, View in Reaxys; Ribaud, M. G.; Publ. Sci. Tech. Min. Air (France) Nr. 266 (1952) 119 ; (from Gmelin), View in Reaxys

vapor pressure table; Solid

Lange, J.; Berga, J.; Monatshefte fuer Chemie; vol. 81; (1950); p. 921 - 938, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys

Liquid

Gordon, A. R.; Benson, G. C.; Can. J. Res. B.; vol. 24; (1946); p. 285 - 291, View in Reaxys; vol. C: MVol.D3; 6.2.4.7.7.12, page 216 216 ; (from Gmelin), View in Reaxys

501.8

140.44

-13.3

Giauque; Ruehrwein; Journal of the American Chemical Society; vol. 61; (1939); p. 2626, View in Reaxys

181.7 - 760.16

-8.1 - 25.6

Giauque; Ruehrwein; Journal of the American Chemical Society; vol. 61; (1939); p. 2626, View in Reaxys

166/296

2018-01-18 00:45:07

140.4

-13.296

Liquid

Giauque; Ruehrwein; Journal of the American Chemical Society; vol. 61; (1939); p. 2626, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys

181.7

-8.067

Liquid

Giauque; Ruehrwein; Journal of the American Chemical Society; vol. 61; (1939); p. 2626, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys

209.15

-5.133

Liquid

Giauque; Ruehrwein; Journal of the American Chemical Society; vol. 61; (1939); p. 2626, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys

251.78

-1.146

Liquid

Giauque; Ruehrwein; Journal of the American Chemical Society; vol. 61; (1939); p. 2626, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys

304.11

3.061

Liquid

Giauque; Ruehrwein; Journal of the American Chemical Society; vol. 61; (1939); p. 2626, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys

360.03

6.94

Liquid

Giauque; Ruehrwein; Journal of the American Chemical Society; vol. 61; (1939); p. 2626, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys

442.84

11.87

Liquid

Giauque; Ruehrwein; Journal of the American Chemical Society; vol. 61; (1939); p. 2626, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys

540.43

16.779

Liquid

Giauque; Ruehrwein; Journal of the American Chemical Society; vol. 61; (1939); p. 2626, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys

658.73

21.865

Liquid

Giauque; Ruehrwein; Journal of the American Chemical Society; vol. 61; (1939); p. 2626, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys

760.16

25.651

Liquid

Giauque; Ruehrwein; Journal of the American Chemical Society; vol. 61; (1939); p. 2626, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys

27 - 128.5

-37 - 14.8

Lewis; Schutz; Journal of the American Chemical Society; vol. 56; (1934); p. 1002, View in Reaxys

136.5 - 638.5

-13.9 - 20.8

Lewis; Schutz; Journal of the American Chemical Society; vol. 56; (1934); p. 1002, View in Reaxys

136.5

-13.8

Liquid

Lewis; Schutz; Journal of the American Chemical Society; vol. 56; (1934); p. 1002, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 193 ; (from Gmelin), View in Reaxys

232

-2.9

Liquid

Lewis; Schutz; Journal of the American Chemical Society; vol. 56; (1934); p. 1002, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 193 ; (from Gmelin), View in Reaxys

425.5

10.5

Liquid

Lewis; Schutz; Journal of the American Chemical Society; vol. 56; (1934); p. 1002, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 193 ; (from Gmelin), View in Reaxys

519

15.6

Liquid

Lewis; Schutz; Journal of the American Chemical Society; vol. 56; (1934); p. 1002, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 193 ; (from Gmelin), View in Reaxys

638.5

20.9

Liquid

Lewis; Schutz; Journal of the American Chemical Society; vol. 56; (1934); p. 1002, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 193 ; (from Gmelin), View in Reaxys

114

-16.5

Solid

Lewis; Schutz; Journal of the American Chemical Society; vol. 56; (1934); p. 1002, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 193 ; (from Gmelin), View in Reaxys

128.5

-14.7

Solid

Lewis; Schutz; Journal of the American Chemical Society; vol. 56; (1934); p. 1002, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 193 ; (from Gmelin), View in Reaxys

167/296

2018-01-18 00:45:07

-36.9

Solid

Lewis; Schutz; Journal of the American Chemical Society; vol. 56; (1934); p. 1002, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 193 ; (from Gmelin), View in Reaxys

38.5

-32

Solid

Lewis; Schutz; Journal of the American Chemical Society; vol. 56; (1934); p. 1002, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 193 ; (from Gmelin), View in Reaxys

-21.5

Solid

Lewis; Schutz; Journal of the American Chemical Society; vol. 56; (1934); p. 1002, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 193 ; (from Gmelin), View in Reaxys

vapor pressure table; vapor pressure equation; Solid

Lewis; Schutz; Journal of the American Chemical Society; vol. 56; (1934); p. 1002, View in Reaxys; Sinozaki, H.; Hara, R.; Mitsukuri, S.; Tech. Rept. Tokohu Imp. Univ.; vol. 6; (1926); p. 157 - 167, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys

0.132 - 137.45

-86.1 - -13.6

Sinozaki; Hara; Mitsukuri; Technol. Rep. Tohoku Univ.; vol. 6; p. 161; Chem. Zentralbl.; vol. 98; nb. II; (1927); p. 225, View in Reaxys

120.05 - 1564.1

-16.5 - 46.2

Sinozaki; Hara; Mitsukuri; Technol. Rep. Tohoku Univ.; vol. 6; p. 161; Chem. Zentralbl.; vol. 98; nb. II; (1927); p. 225, View in Reaxys

566.2

Shirado; Bulletin of the Chemical Society of Japan; vol. 2; (1927); p. 91; Chem. Zentralbl.; vol. 98; nb. II; (1927); p. 392, View in Reaxys; Bredig; Shirado; Zeitschrift fuer Elektrochemie und Angewandte Physikalische Chemie; vol. 33; (1927); p. 210, View in Reaxys

50.24 - 128.78

-39.5 - -15.3

Perry; Porter; Journal of the American Chemical Society; vol. 48; (1926); p. 300, View in Reaxys

183.08 - 807.23

-8.1 - 27.2

Perry; Porter; Journal of the American Chemical Society; vol. 48; (1926); p. 300, View in Reaxys

1028.4

33.93

Liquid

Sinozaki, H.; Hara, R.; Mitsukuri, S.; Tech. Rept. Tokohu Imp. Univ.; vol. 6; (1926); p. 157 - 167, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys

128.78

-15.2

Liquid

Perry, J. H.; Porter, F. J.; Journal of the American Chemical Society; vol. 48; (1926); p. 299 - 302, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys

131.29

-14.32

Liquid

Sinozaki, H.; Hara, R.; Mitsukuri, S.; Tech. Rept. Tokohu Imp. Univ.; vol. 6; (1926); p. 157 - 167, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys

1564.1

46.24

Liquid

Sinozaki, H.; Hara, R.; Mitsukuri, S.; Tech. Rept. Tokohu Imp. Univ.; vol. 6; (1926); p. 157 - 167, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys

183.08

-8.07

Liquid

Perry, J. H.; Porter, F. J.; Journal of the American Chemical Society; vol. 48; (1926); p. 299 - 302, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys

264.39

-0.05

Liquid

Perry, J. H.; Porter, F. J.; Journal of the American Chemical Society; vol. 48; (1926); p. 299 - 302, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys

265.2

0.03

Liquid

Sinozaki, H.; Hara, R.; Mitsukuri, S.; Tech. Rept. Tokohu Imp. Univ.; vol. 6; (1926); p. 157 - 167, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys

448.93

12.15

Liquid

Perry, J. H.; Porter, F. J.; Journal of the American Chemical Society; vol. 48; (1926); p. 299 - 302, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys

465.4

13.12

Liquid

Sinozaki, H.; Hara, R.; Mitsukuri, S.; Tech. Rept. Tokohu Imp. Univ.; vol. 6; (1926); p. 157 - 167, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys

647.87

21.38

Liquid

Perry, J. H.; Porter, F. J.; Journal of the American Chemical Society; vol. 48; (1926); p. 299 - 302, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys

168/296

2018-01-18 00:45:07

730.6

24.6

Liquid

Sinozaki, H.; Hara, R.; Mitsukuri, S.; Tech. Rept. Tokohu Imp. Univ.; vol. 6; (1926); p. 157 - 167, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys

757.27

25.52

Liquid

Perry, J. H.; Porter, F. J.; Journal of the American Chemical Society; vol. 48; (1926); p. 299 - 302, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys

807.23

27.27

Liquid

Perry, J. H.; Porter, F. J.; Journal of the American Chemical Society; vol. 48; (1926); p. 299 - 302, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys

11.78

-46.15

Solid

Sinozaki, H.; Hara, R.; Mitsukuri, S.; Tech. Rept. Tokohu Imp. Univ.; vol. 6; (1926); p. 157 - 167, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys

0.132

-86.06

Solid

Sinozaki, H.; Hara, R.; Mitsukuri, S.; Tech. Rept. Tokohu Imp. Univ.; vol. 6; (1926); p. 157 - 167, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys

1.673

-66.04

Solid

Sinozaki, H.; Hara, R.; Mitsukuri, S.; Tech. Rept. Tokohu Imp. Univ.; vol. 6; (1926); p. 157 - 167, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys

46.26

-29.19

Solid

Sinozaki, H.; Hara, R.; Mitsukuri, S.; Tech. Rept. Tokohu Imp. Univ.; vol. 6; (1926); p. 157 - 167, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys

50.24

-29.4

Solid

Perry, J. H.; Porter, F. J.; Journal of the American Chemical Society; vol. 48; (1926); p. 299 - 302, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys

vapor pressure equation; Solid

Perry, J. H.; Porter, F. J.; Journal of the American Chemical Society; vol. 48; (1926); p. 299 - 302, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys

110

-15.2

Bredig; Teichmann; Zeitschrift fuer Elektrochemie und Angewandte Physikalische Chemie; vol. 31; (1925); p. 452, View in Reaxys; Anonymus; Jber. chem. tech. Reichsanst.; vol. 4; (1924); p. 44, View in Reaxys

265.2 - 1564.1

0.1 - 46.3

Hara; Sinozaki; Technol. Rep. Tohoku Univ.; vol. 4; p. 150; Chem. Zentralbl.; vol. 96; nb. II; (1925); p. 1591, View in Reaxys

110

-15.2

Liquid

Bredig, G.; Teichmann, L.; Zeitschrift fuer Elektrochemie; vol. 31; (1925); p. 449 - 453, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys

1241

39.4

Liquid

Bredig, G.; Teichmann, L.; Zeitschrift fuer Elektrochemie; vol. 31; (1925); p. 449 - 453, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys

165

-10

Liquid

Bredig, G.; Teichmann, L.; Zeitschrift fuer Elektrochemie; vol. 31; (1925); p. 449 - 453, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys

256

Liquid

Bredig, G.; Teichmann, L.; Zeitschrift fuer Elektrochemie; vol. 31; (1925); p. 449 - 453, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys

2819.6

64.8

Liquid

Bredig, G.; Teichmann, L.; Zeitschrift fuer Elektrochemie; vol. 31; (1925); p. 449 - 453, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys

36252

180.4

Liquid

Bredig, G.; Teichmann, L.; Zeitschrift fuer Elektrochemie; vol. 31; (1925); p. 449 - 453, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys

427

10.8

Liquid

Bredig, G.; Teichmann, L.; Zeitschrift fuer Elektrochemie; vol. 31; (1925); p. 449 - 453, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys

504

14.8

Liquid

Bredig, G.; Teichmann, L.; Zeitschrift fuer Elektrochemie; vol. 31; (1925); p. 449 - 453, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys

169/296

2018-01-18 00:45:07

6840

100

Liquid

Bredig, G.; Teichmann, L.; Zeitschrift fuer Elektrochemie; vol. 31; (1925); p. 449 - 453, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys

760

25.6

Liquid

Bredig, G.; Teichmann, L.; Zeitschrift fuer Elektrochemie; vol. 31; (1925); p. 449 - 453, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys Bussy; Buignet; Annales de Chimie (Cachan, France); vol. <4> 3; (1864); p. 235,238, View in Reaxys

1520

45.8

Liquid

vol. C: MVol.D1; 15.6, page 186 - 193, View in Reaxys; Ribaud, M. G.; Publ. Sci. Tech. Min. Air (France) Nr. 266 (1952) 119 ; (from Gmelin), View in Reaxys

200

-5.3

Liquid

vol. C: MVol.D1; 15.6, page 186 - 193, View in Reaxys; Ribaud, M. G.; Publ. Sci. Tech. Min. Air (France) Nr. 266 (1952) 119 ; (from Gmelin), View in Reaxys

3800

75.8

Liquid

vol. C: MVol.D1; 15.6, page 186 - 193, View in Reaxys; Ribaud, M. G.; Publ. Sci. Tech. Min. Air (France) Nr. 266 (1952) 119 ; (from Gmelin), View in Reaxys

400

10.2

Liquid

vol. C: MVol.D1; 15.6, page 186 - 193, View in Reaxys; Ribaud, M. G.; Publ. Sci. Tech. Min. Air (France) Nr. 266 (1952) 119 ; (from Gmelin), View in Reaxys

100

17.8

Solid

vol. C: MVol.D1; 15.6, page 186 - 193, View in Reaxys; Ribaud, M. G.; Publ. Sci. Tech. Min. Air (France) Nr. 266 (1952) 119 ; (from Gmelin), View in Reaxys

-47.1

Solid

vol. C: MVol.D1; 15.6, page 186 - 193, View in Reaxys; Ribaud, M. G.; Publ. Sci. Tech. Min. Air (France) Nr. 266 (1952) 119 ; (from Gmelin), View in Reaxys

-25.1

Solid

vol. C: MVol.D1; 15.6, page 186 - 193, View in Reaxys; Ribaud, M. G.; Publ. Sci. Tech. Min. Air (France) Nr. 266 (1952) 119 ; (from Gmelin), View in Reaxys

NMR Spectroscopy (46) 1 of 46

Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectro- dimethylsulfoxide-d6 scopy) Location

supporting information

Yerabolu, Jayasudhan Reddy; Liotta, Charles L; Krishnamurthy, Ramanarayanan; Chemistry - A European Journal; vol. 23; nb. 36; (2017); p. 8756 - 8765, View in Reaxys 2 of 46

Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)

Solvents (NMR Spectro- dichloromethane-d2 scopy) Temperature (NMR Spectroscopy) [°C]

Frequency (NMR Spectroscopy) [MHz]

300

Location

supporting information

Chen, Chi-Shian; Kuo, Ting-Shen; Yeh, Wen-Yann; Chemistry - A European Journal; vol. 22; nb. 26; (2016); p. 8773 - 8776, View in Reaxys 3 of 46

Description (NMR Spec- Chemical shifts; Spectrum troscopy)

170/296

2018-01-18 00:45:07

Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectro- chloroform-d1 scopy) Yang, Fei; Wei, Siping; Chen, Chien-An; Xi, Peihua; Yang, Li; Lan, Jingbo; Gau, Han-Mou; You, Jingsong; Chemistry - A European Journal; vol. 14; nb. 7; (2008); p. 2223 - 2231, View in Reaxys 4 of 46

Nucleus (NMR Spectroscopy)

Solvents (NMR Spectro- further solvent(s) scopy) Comment (NMR Spectroscopy)

Signals given

Dobbs, Kerwin D.; Marshall, William J.; Grushin, Vladimir V.; Journal of the American Chemical Society; vol. 129; nb. 1; (2007); p. 30 - 31 ; (from Gmelin), View in Reaxys 5 of 46

Nucleus (NMR Spectroscopy)

14N

Solvents (NMR Spectro- water scopy) Temperature (NMR Spectroscopy) [°C]

24.5 - 25.5

Comment (NMR Spectroscopy)

Signals given

Nagy, Peter; Fischer, Andreas; Glaser, Julius; Ilyukhin, Andrey; Maliarik, Mikhail; Toth, Imre; Inorganic Chemistry; vol. 44; nb. 7; (2005); p. 2347 - 2357 ; (from Gmelin), View in Reaxys 6 of 46

Description (NMR Spec- Spectrum; Linewidth of NMR absorption troscopy) Nucleus (NMR Spectroscopy)

13C

Coupling Nuclei

Solvents (NMR Spectro- water scopy) Temperature (NMR Spectroscopy) [°C]

0.74 - 46.94

Comment (NMR Spectroscopy)

Signals given

Monlien, Florence J.; Helm, Lothar; Abou-Hamdan, Amira; Merbach, Andre E.; Inorganica Chimica Acta; vol. 331; nb. 1; (2002); p. 257 - 269 ; (from Gmelin), View in Reaxys 7 of 46

Description (NMR Spec- Spectrum troscopy) Nucleus (NMR Spectroscopy)

13C

Coupling Nuclei

Solvents (NMR Spectro- further solvent(s) scopy) Temperature (NMR Spectroscopy) [°C]

24.94

Comment (NMR Spectroscopy)

Signals given

Monlien, Florence J.; Helm, Lothar; Abou-Hamdan, Amira; Merbach, Andre E.; Inorganic Chemistry; vol. 41; nb. 7; (2002); p. 1717 - 1727 ; (from Gmelin), View in Reaxys 8 of 46

Nucleus (NMR Spectroscopy)

171/296

2018-01-18 00:45:07

Solvents (NMR Spectro- [(2)H6]acetone scopy) Comment (NMR Spectroscopy)

Signals given

Kornath, Andreas; Doz, Priv-; Blecher, Oliver; Zeitschrift fur Anorganische und Allgemeine Chemie; vol. 628; nb. 3; (2002); p. 625 - 631 ; (from Gmelin), View in Reaxys 9 of 46

Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectro- [(2)H6]acetone scopy) Comment (NMR Spectroscopy)

Signals given

Kornath, Andreas; Doz, Priv-; Blecher, Oliver; Zeitschrift fur Anorganische und Allgemeine Chemie; vol. 628; nb. 3; (2002); p. 625 - 631 ; (from Gmelin), View in Reaxys 10 of 46

Description (NMR Spec- Spectrum troscopy) Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectro- H2O scopy) Temperature (NMR Spectroscopy) [°C]

24.5 - 25.5

Banyai, Istvan; Glaser, Julius; Losonczi, Judit; Inorganic Chemistry; vol. 36; nb. 25; (1997); p. 5900 - 5908 ; (from Gmelin), View in Reaxys 11 of 46

Nucleus (NMR Spectroscopy)

14N

Solvents (NMR Spectro- trichlorofluoromethane scopy) Temperature (NMR Spectroscopy) [°C]

Comment (NMR Spectroscopy)

Signals given

Klapoetke, Thomas M.; McIntyre, Garry; Schulz, Axel; Journal of the Chemical Society - Dalton Transactions; nb. 15; (1996); p. 3237 - 3241 ; (from Gmelin), View in Reaxys 12 of 46

Nucleus (NMR Spectroscopy)

Solvents (NMR Spectro- gaseous matrix scopy) Temperature (NMR Spectroscopy) [°C]

Comment (NMR Spectroscopy)

Signals given

Schulz, Axel; Klapoetke, Thomas M.; Journal of Organometallic Chemistry; vol. 436; nb. 2; (1992); p. 179 - 183 ; (from Gmelin), View in Reaxys 13 of 46

Nucleus (NMR Spectroscopy)

14N

Solvents (NMR Spectro- sulfur dioxide scopy) Temperature (NMR Spectroscopy) [°C]

Comment (NMR Spectroscopy)

Signals given

172/296

2018-01-18 00:45:07

Tornieporth-Oetting, Inis C.; Klapoetke, Thomas M.; Cameron, T. Stanley; Valkonen, Jussi; Rademacher, Paul; Kowski, Klaus; Journal of the Chemical Society, Dalton Transactions: Inorganic Chemistry (1972-1999); nb. 4; (1992); p. 537 - 544 ; (from Gmelin), View in Reaxys 14 of 46

Nucleus (NMR Spectroscopy)

Solvents (NMR Spectro- thionyl chloride scopy) Temperature (NMR Spectroscopy) [°C]

Comment (NMR Spectroscopy)

Signals given

Tornieporth-Oetting, Inis C.; Klapoetke, Thomas M.; Chemische Berichte; vol. 125; nb. 2; (1992); p. 407 - 410 ; (from Gmelin), View in Reaxys 15 of 46

Nucleus (NMR Spectroscopy)

Solvents (NMR Spectro- sulfuryl dichloride scopy) Temperature (NMR Spectroscopy) [°C]

Comment (NMR Spectroscopy)

Signals given

Tornieporth-Oetting, Inis C.; Klapoetke, Thomas M.; Chemische Berichte; vol. 125; nb. 2; (1992); p. 407 - 410 ; (from Gmelin), View in Reaxys 16 of 46

Nucleus (NMR Spectroscopy)

Solvents (NMR Spectro- trichlorofluoromethane scopy) Temperature (NMR Spectroscopy) [°C]

Comment (NMR Spectroscopy)

Signals given

Tornieporth-Oetting, Inis C.; Klapoetke, Thomas M.; Chemische Berichte; vol. 125; nb. 2; (1992); p. 407 - 410 ; (from Gmelin), View in Reaxys 17 of 46

Nucleus (NMR Spectroscopy)

Solvents (NMR Spectro- further solvent(s) scopy) Temperature (NMR Spectroscopy) [°C]

Comment (NMR Spectroscopy)

Signals given

Tornieporth-Oetting, Inis C.; Klapoetke, Thomas M.; Chemische Berichte; vol. 125; nb. 2; (1992); p. 407 - 410 ; (from Gmelin), View in Reaxys 18 of 46

Nucleus (NMR Spectroscopy)

Solvents (NMR Spectro- sulfur dioxide scopy) Temperature (NMR Spectroscopy) [°C]

Comment (NMR Spectroscopy)

Signals given

Tornieporth-Oetting, Inis C.; Klapoetke, Thomas M.; Chemische Berichte; vol. 125; nb. 2; (1992); p. 407 - 410, View in Reaxys; Tornieporth-Oetting, Inis C.; Klapoetke, Thomas M.; Cameron, T. Stanley; Valkonen, Jussi;

173/296

2018-01-18 00:45:07

Rademacher, Paul; Kowski, Klaus; Journal of the Chemical Society, Dalton Transactions: Inorganic Chemistry (1972-1999); nb. 4; (1992); p. 537 - 544 ; (from Gmelin), View in Reaxys 19 of 46

Nucleus (NMR Spectroscopy)

15N

Solvents (NMR Spectro- H2O scopy) Temperature (NMR Spectroscopy) [°C]

-265 - -241

Comment (NMR Spectroscopy)

Signals given

Brown, Kenneth L.; Gupta, B. D.; Inorganic Chemistry; vol. 29; (1990); p. 3854 - 3860 ; (from Gmelin), View in Reaxys 20 of 46

Description (NMR Spec- Spectrum troscopy) Nucleus (NMR Spectroscopy)

13C

Coupling Nuclei

Solvents (NMR Spectro- H2O scopy) Temperature (NMR Spectroscopy) [°C]

Comment (NMR Spectroscopy)

Signals given

Blixt, Johan; Gyoeri, Bela; Glaser, Julius; Journal of the American Chemical Society; vol. 111; nb. 20; (1989); p. 7784 - 7791 ; (from Gmelin), View in Reaxys 21 of 46

Nucleus (NMR Spectroscopy)

14N

Solvents (NMR Spectro- H2O scopy) Temperature (NMR Spectroscopy) [°C]

Comment (NMR Spectroscopy)

Signals given

Blixt, Johan; Gyoeri, Bela; Glaser, Julius; Journal of the American Chemical Society; vol. 111; nb. 20; (1989); p. 7784 - 7791 ; (from Gmelin), View in Reaxys 22 of 46

Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectro- gaseous matrix scopy) Temperature (NMR Spectroscopy) [°C]

Comment (NMR Spectroscopy)

Signals given

Jameson, A. Keith; Jameson, Cynthia J.; Chemical Physics Letters; vol. 134; (1987); p. 461 - 466 ; (from Gmelin), View in Reaxys 23 of 46

Description (NMR Spec- Linewidth of NMR absorption troscopy) Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectro- neat (no solvent) scopy) Temperature (NMR Spectroscopy) [°C]

-13

174/296

2018-01-18 00:45:07

Wasylishen, Roderick E.; Canadian Journal of Chemistry; vol. 65; (1987); p. 2077 - 2081 ; (from Gmelin), View in Reaxys 24 of 46

Description (NMR Spec- Linewidth of NMR absorption troscopy) Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectro- neat (no solvent) scopy) Temperature (NMR Spectroscopy) [°C]

-13 - 27

Wasylishen, Roderick E.; Canadian Journal of Chemistry; vol. 65; (1987); p. 2077 - 2081 ; (from Gmelin), View in Reaxys 25 of 46

Description (NMR Spec- Linewidth of NMR absorption troscopy) Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectro- neat (no solvent) scopy) Temperature (NMR Spectroscopy) [°C]

-3

Wasylishen, Roderick E.; Canadian Journal of Chemistry; vol. 65; (1987); p. 2077 - 2081 ; (from Gmelin), View in Reaxys 26 of 46

Description (NMR Spec- Linewidth of NMR absorption troscopy) Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectro- neat (no solvent) scopy) Temperature (NMR Spectroscopy) [°C]

Wasylishen, Roderick E.; Canadian Journal of Chemistry; vol. 65; (1987); p. 2077 - 2081 ; (from Gmelin), View in Reaxys 27 of 46

Description (NMR Spec- Linewidth of NMR absorption troscopy) Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectro- neat (no solvent) scopy) Temperature (NMR Spectroscopy) [°C]

Wasylishen, Roderick E.; Canadian Journal of Chemistry; vol. 65; (1987); p. 2077 - 2081 ; (from Gmelin), View in Reaxys 28 of 46

Description (NMR Spec- Linewidth of NMR absorption troscopy) Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectro- neat (no solvent) scopy) Temperature (NMR Spectroscopy) [°C]

Wasylishen, Roderick E.; Canadian Journal of Chemistry; vol. 65; (1987); p. 2077 - 2081 ; (from Gmelin), View in Reaxys

175/296

2018-01-18 00:45:07

29 of 46

Description (NMR Spec- Linewidth of NMR absorption troscopy) Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectro- neat (no solvent) scopy) Temperature (NMR Spectroscopy) [°C]

Wasylishen, Roderick E.; Canadian Journal of Chemistry; vol. 65; (1987); p. 2077 - 2081 ; (from Gmelin), View in Reaxys 30 of 46

Nucleus (NMR Spectroscopy)

Solvents (NMR Spectro- further solvent(s) scopy) Temperature (NMR Spectroscopy) [°C]

Comment (NMR Spectroscopy)

Signals given

Bednar, Rodney A.; Jencks, William P.; Journal of the American Chemical Society; vol. 107; nb. 24; (1985); p. 7126 - 7134 ; (from Gmelin), View in Reaxys 31 of 46

Description (NMR Spec- Linewidth of NMR absorption troscopy) Nucleus (NMR Spectroscopy)

Coupling Nuclei

13C

Solvents (NMR Spectro- neat (no solvent) scopy) Temperature (NMR Spectroscopy) [°C]

-8 - 87

Comment (NMR Spectroscopy)

Signals given

Jameson, Cynthia J.; Jameson, A. Keith; Oppusunggu, D.; Wille, S.; Journal of Chemical Physics; vol. 76; nb. 1; (1982); p. 152 - 162 ; (from Gmelin), View in Reaxys 32 of 46

Description (NMR Spec- Spin-spin coupling constants troscopy) Comment (NMR Spectroscopy)

1H-15N, 13C-15N

Siegel, R.; Crimaldi, K.; Lichter, R. L.; Schulman, J. M.; Journal of Physical Chemistry; vol. 85; nb. 26; (1981); p. 4157 - 4158, View in Reaxys 33 of 46

Description (NMR Spec- Spin-spin coupling constants troscopy) Lee; Schulman; Journal of Chemical Physics; vol. 70; (1979); p. 1530, View in Reaxys

34 of 46

Description (NMR Spec- Chemical shifts troscopy) Wrackmeyer; Journal of Magnetic Resonance (1969-1992); vol. 27; (1977); p. 345, View in Reaxys; Schneider; Symp.Hydrogen Bonding Ljubliana; (1957); p. 55,58,60; Chem.Abstr.; nb. 19056; (1960), View in Reaxys

35 of 46

Description (NMR Spec- Spin-lattice relaxation time (T1) troscopy) Loftus et al.; Nouveau Journal de Chimie; vol. 1; nb. 4; (1977); p. 283, View in Reaxys

36 of 46

Description (NMR Spec- NMR troscopy)

176/296

2018-01-18 00:45:07

Olah,A.; Kiovsky,T.E.; Journal of the American Chemical Society; vol. 90; (1968); p. 4666 - 4672, View in Reaxys; Retcofsky; Friedel; Journal of Physical Chemistry; vol. 71; (1967); p. 3592, View in Reaxys; Chan; Das; Journal of Chemical Physics; vol. 37; (1962); p. 1527,1532, View in Reaxys; Reddy; Goldstein; Journal of Chemical Physics; vol. 39; (1963); p. 3509,3510, View in Reaxys; Binsch; Roberts; Journal of Physical Chemistry; vol. 72; (1968); p. 4310, View in Reaxys; Ditchfield; Molecular Physics; vol. 27; (1974); p. 789,802, View in Reaxys; Olah; White; Journal of the American Chemical Society; vol. 91; (1969); p. 5801,5804, View in Reaxys; Farmer et al.; Journal of the Chemical Society, Dalton Transactions: Inorganic Chemistry (1972-1999); (1976); p. 1445, View in Reaxys; Dove; Hallett; Journal of the Chemical Society [Section] A: Inorganic, Physical, Theoretical; (1969); p. 2781, View in Reaxys; Guttenberger; Chemische Berichte; vol. 101; (1968); p. 403,406, View in Reaxys 37 of 46

Description (NMR Spec- Chemical shifts troscopy) Comment (NMR Spectroscopy)

Shifts in Cd113 Resonance

Kostelnik; Bothner-By; Journal of Magnetic Resonance (1969-1992); vol. 14; (1974); p. 141, View in Reaxys 38 of 46

Nucleus (NMR Spectroscopy)

13C

Coupling Nuclei

Solvents (NMR Spectro- neat (no solvent) scopy) Binsch; Roberts; Journal of Physical Chemistry; vol. 72; (1968); p. 4310, View in Reaxys; vol. C: MVol.D1; 15.4.26, page 162 - 167 ; (from Gmelin), View in Reaxys 39 of 46

Nucleus (NMR Spectroscopy)

15N

Coupling Nuclei

Solvents (NMR Spectro- not given scopy) Binsch; Roberts; Journal of Physical Chemistry; vol. 72; (1968); p. 4310, View in Reaxys; vol. C: MVol.D1; 15.4.26, page 162 - 167 ; (from Gmelin), View in Reaxys 40 of 46

Description (NMR Spec- Linewidth of NMR absorption troscopy) Bird; Journal of Chemical Physics; vol. 38; (1963); p. 2678, View in Reaxys

41 of 46

Nucleus (NMR Spectroscopy)

Coupling Nuclei

13C

Solvents (NMR Spectro- further solvent(s) scopy) Comment (NMR Spectroscopy)

Signals given

Reddy, G. S.; Goldstein, J. H.; Journal of Chemical Physics; vol. 39; (1963); p. 3509 - 3512, View in Reaxys; vol. C: MVol.D1; 15.4.26, page 162 - 167 ; (from Gmelin), View in Reaxys 42 of 46

Nucleus (NMR Spectroscopy)

13C

Coupling Nuclei

Solvents (NMR Spectro- further solvent(s) scopy) Reddy, G. S.; Goldstein, J. H.; Journal of Chemical Physics; vol. 39; (1963); p. 3509 - 3512, View in Reaxys; vol. C: MVol.D1; 15.4.26, page 162 - 167 ; (from Gmelin), View in Reaxys 43 of 46

Description (NMR Spec- Linewidth of NMR absorption troscopy) Nucleus (NMR Spectroscopy)

Solvents (NMR Spectro- neat (no solvent) scopy)

177/296

2018-01-18 00:45:07

Ramsey, N. F.; Am. Scientist; vol. 49; (1961); p. 509 - 523, View in Reaxys; Ramsey, N. F.; Sci. Progr. (New Haven) (13); (1960); p. 59 - 78, View in Reaxys; vol. C: MVol.D1; 15.4.26, page 162 - 167 ; (from Gmelin), View in Reaxys 44 of 46

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

Schneider et al.; Journal of Chemical Physics; vol. 28; (1958); p. 601,603, View in Reaxys 45 of 46

Description (NMR Spec- Linewidth of NMR absorption troscopy) Nucleus (NMR Spectroscopy)

not given

Solvents (NMR Spectro- neat (no solvent) scopy) Temperature (NMR Spectroscopy) [°C]

-13 - 35

Comment (NMR Spectroscopy)

Signals given

Schneider, W. G.; Bernstein, H. J.; Pople, J. A.; Journal of Chemical Physics; vol. 28; (1958); p. 601 - 607, View in Reaxys; vol. C: MVol.D1; 15.4.26, page 162 - 167 ; (from Gmelin), View in Reaxys 46 of 46

Nucleus (NMR Spectroscopy)

not given

Solvents (NMR Spectro- gaseous matrix scopy) Comment (NMR Spectroscopy)

Signals given

Description (IR Spectroscopy)

Bands; Spectrum

Wang, Ruihong; Yang, Jun; Shi, Keying; Wang, Bo; Wang, Lei; Tian, Guohui; Bateer, Buhe; Tian, Chungui; Shen, Peikang; Fu, Honggang; RSC Advances; vol. 3; nb. 14; (2013); p. 4771 - 4777, View in Reaxys; Bartyzel, Agata; Sztanke, Małgorzata; Sztanke, Krzysztof; Journal of Thermal Analysis and Calorimetry; vol. 130; nb. 3; (2017); p. 1541 - 1551, View in Reaxys 2 of 184

Description (IR Spectroscopy)

Bands

Mann; Horrocks; Journal of Chemical Physics; vol. 45; (1966); p. 1278, View in Reaxys; Rank et al.; Journal of Molecular Spectroscopy; vol. 4; (1960); p. 518, View in Reaxys; Meisingseth; Cyvin; Acta Chemica Scandinavica (1947-1973); vol. 16; (1962); p. 1321, View in Reaxys; Suzuki et al.; Journal of Chemical Physics; vol. 44; (1966); p. 3561, View in Reaxys; Rao et al.; Journal of the Optical Society of America; vol. 50; (1960); p. 228,229 - 231; Chem.Abstr.; nb. 10510; (1960), View in Reaxys; Baker; Turner; Proceedings of the Royal Society of London, Series A: Mathematical, Physical and Engineering Sciences; vol. 308; (1968); p. 19,20, 21, 28, 30, View in Reaxys; Walsh et al.; Journal of Molecular Spectroscopy; vol. 72; (1978); p. 44, View in Reaxys; Feng, Wenhui; Hershberger, John F.; Journal of Physical Chemistry A; vol. 118; nb. 5; (2014); p. 829 - 837, View in Reaxys; Ismael; Fausto; Cristiano; Journal of Organic Chemistry; vol. 81; nb. 23; (2016); p. 11656 - 11663, View in Reaxys 3 of 184

Description (IR Spectroscopy)

Bands; Spectrum

Solvent (IR Spectroscopy)

chlorobenzene

Location

supporting information

Chen, Chi-Shian; Kuo, Ting-Shen; Yeh, Wen-Yann; Chemistry - A European Journal; vol. 22; nb. 26; (2016); p. 8773 - 8776, View in Reaxys 4 of 184

Description (IR Spectroscopy)

Bands

178/296

2018-01-18 00:45:07

Solvent (IR Spectroscopy)

neat (no solvent, gas phase)

Temperature (IR Spectroscopy) [°C]

235

Zeng, Xiaoqing; Beckers, Helmut; Seifert, Jennifer; Banert, Klaus; European Journal of Organic Chemistry; vol. 2014; nb. 19; (2014); p. 4077 - 4082, View in Reaxys 5 of 184

Description (IR Spectroscopy)

Mid IR (MIR); Bands

Location

supporting information

Krebsz, Melinda; Tarczay, Gyoergy; Pasinszki, Tibor; Chemistry - A European Journal; vol. 19; nb. 50; (2013); p. 17201 - 17208, View in Reaxys 6 of 184

Description (IR Spectroscopy)

Spectrum

Solvent (IR Spectroscopy)

neat (no solvent, gas phase)

Comment (IR Spectroscopy)

600 cm**-1 - 4000 cm**-1

Caires, F. J.; Lima, L. S.; Carvalho, C. T.; Siqueira, A. B.; Treu-Filho, Oswaldo; Ionashiro, M.; Journal of Thermal Analysis and Calorimetry; vol. 107; (2012); p. 335 - 344 ; (from Gmelin), View in Reaxys 7 of 184

Description (IR Spectroscopy)

Spectrum

Solvent (IR Spectroscopy)

neat (no solvent, gas phase)

Comment (IR Spectroscopy)

400 cm**-1 - 4000 cm**-1

Shi, Jingyan; Wang, Zhiyong; Liu, Yuwen; Wang, Cunxin; Journal of Thermal Analysis and Calorimetry; vol. 108; (2012); p. 299 - 306 ; (from Gmelin), View in Reaxys 8 of 184

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

neat (no solvent, gas phase)

Comment (IR Spectroscopy)

400 cm**-1 - 4000 cm**-1

Shi, Jingyan; Wang, Zhiyong; Liu, Yuwen; Wang, Cunxin; Journal of Thermal Analysis and Calorimetry; vol. 108; (2012); p. 299 - 306 ; (from Gmelin), View in Reaxys 9 of 184

Description (IR Spectroscopy)

Spectrum

Solvent (IR Spectroscopy)

gaseous matrix

Comment (IR Spectroscopy)

300 cm**-1 - 2200 cm**-1

Arppe, Teemu; Khriachtchev, Leonid; Lignell, Antti; Domanskaya, Alexandra V.; Raesaenen, Markku; Inorganic Chemistry; vol. 51; nb. 7; (2012); p. 4398 - 4402 ; (from Gmelin), View in Reaxys 10 of 184

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

gaseous matrix

Comment (IR Spectroscopy)

300 cm**-1 - 2200 cm**-1

Arppe, Teemu; Khriachtchev, Leonid; Lignell, Antti; Domanskaya, Alexandra V.; Raesaenen, Markku; Inorganic Chemistry; vol. 51; nb. 7; (2012); p. 4398 - 4402 ; (from Gmelin), View in Reaxys 11 of 184

Description (IR Spectroscopy)

Spectrum

179/296

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Solvent (IR Spectroscopy)

neat (no solvent, gas phase)

Comment (IR Spectroscopy)

500 cm**-1 - 4000 cm**-1

Ahamad, Tansir; Alshehri, Saad M.; Journal of Thermal Analysis and Calorimetry; vol. 109; (2012); p. 1039 1048 ; (from Gmelin), View in Reaxys 12 of 184

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

neat (no solvent, gas phase)

Comment (IR Spectroscopy)

500 cm**-1 - 4000 cm**-1

Ahamad, Tansir; Alshehri, Saad M.; Journal of Thermal Analysis and Calorimetry; vol. 109; (2012); p. 1039 1048 ; (from Gmelin), View in Reaxys 13 of 184

Description (IR Spectroscopy)

Intensity of IR bands; Bands; Spectrum

Temperature (IR Spectroscopy) [°C]

-258.16

Location

supporting information

Nunes, Claudio M.; Reva, Igor; Pinho E Melo, Teresa M. V. D.; Fausto, Rui; Journal of Organic Chemistry; vol. 77; nb. 19; (2012); p. 8723 - 8732,10, View in Reaxys 14 of 184

Description (IR Spectroscopy)

Spectrum

Solvent (IR Spectroscopy)

solid matrix

Temperature (IR Spectroscopy) [°C]

-263.16

Comment (IR Spectroscopy)

500 cm**-1 - 6000 cm**-1

Jiang, Chen-Wei; Xie, Rui-Hua; Li, Fu-Li; Allen, Roland E.; Journal of Physical Chemistry A; vol. 115; nb. 3; (2011); p. 244 - 249, View in Reaxys; Quinto-Hernandez, Alfredo; Wodtke, Alec M.; Bennett, Chris J.; Kim, Y. Seol; Kaiser, Ralf I.; Journal of Physical Chemistry A; vol. 115; nb. 3; (2011); p. 250 - 264 ; (from Gmelin), View in Reaxys 15 of 184

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

solid matrix

Temperature (IR Spectroscopy) [°C]

-263.16

Comment (IR Spectroscopy)

500 cm**-1 - 6000 cm**-1

Description (IR Spectroscopy)

Spectrum

Solvent (IR Spectroscopy)

potassium bromide

Comment (IR Spectroscopy)

400 cm**-1 - 4000 cm**-1

Otto, K.; Oja Acik, I.; Tonsuaadu, K.; Mere, A.; Krunks, M.; Journal of Thermal Analysis and Calorimetry; vol. 105; (2011); p. 615 - 624 ; (from Gmelin), View in Reaxys

180/296

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17 of 184

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

potassium bromide

Comment (IR Spectroscopy)

400 cm**-1 - 4000 cm**-1

Otto, K.; Oja Acik, I.; Tonsuaadu, K.; Mere, A.; Krunks, M.; Journal of Thermal Analysis and Calorimetry; vol. 105; (2011); p. 615 - 624 ; (from Gmelin), View in Reaxys 18 of 184

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

gas

Comment (IR Spectroscopy)

800 cm**-1 - 4000 cm**-1

Yoshino, Satoru; Miyake, Atsumi; Journal of Thermal Analysis and Calorimetry; vol. 100; nb. 1; (2010); p. 247 251 ; (from Gmelin), View in Reaxys 19 of 184

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

gas

Temperature (IR Spectroscopy) [°C]

300 - 400

Comment (IR Spectroscopy)

400 cm**-1 - 4000 cm**-1

O'Mahony; Pemble; Povey; Journal of Molecular Structure; vol. 976; nb. 1-3; (2010); p. 324 - 327 ; (from Gmelin), View in Reaxys 20 of 184

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

gas

Signals [cm-1]

714

Ren, Qiangqiang; Zhao, Changsui; Wu, Xin; Liang, Cai; Chen, Xiaoping; Shen, Jiezhong; Wang, Zheng; Journal of Thermal Analysis and Calorimetry; vol. 99; nb. 1; (2010); p. 301 - 306 ; (from Gmelin), View in Reaxys 21 of 184

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

gas

Comment (IR Spectroscopy)

500 cm**-1 - 3500 cm**-1

Chowdhury, Arindrajit; Thynell, Stefan T.; Lin, Ping; Thermochimica Acta; vol. 485; nb. 1-2; (2009); p. 1 - 13 ; (from Gmelin), View in Reaxys 22 of 184

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

CH2Cl2

Comment (IR Spectroscopy)

3200 cm**-1 - 3280 cm**-1

Crowther, Andrew C.; Carrier, Stacey L.; Preston, Thomas J.; Crim, F. Fleming; Journal of Physical Chemistry A; vol. 112; nb. 47; (2008); p. 12081 - 12089 ; (from Gmelin), View in Reaxys 23 of 184

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

neat (no solvent)

181/296

2018-01-18 00:45:07

Comment (IR Spectroscopy)

2000 cm**-1 - 2400 cm**-1

Yeom, Young Hoon; Li, Meijun; Sachtler, Wolfgang M.H.; Weitz, Eric; Journal of Catalysis; vol. 246; nb. 2; (2007); p. 413 - 427 ; (from Gmelin), View in Reaxys 24 of 184

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

gas

Temperature (IR Spectroscopy) [°C]

25 - 600

Comment (IR Spectroscopy)

650 cm**-1 - 4000 cm**-1

Madarasz; Pokol; Journal of Thermal Analysis and Calorimetry; vol. 88; nb. 2; (2007); p. 329 - 336 ; (from Gmelin), View in Reaxys 25 of 184

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

gas

Comment (IR Spectroscopy)

712 cm**-1 - 3311 cm**-1

Chowdhury, Arindrajit; Thynell, Stefan T.; Thermochimica Acta; vol. 466; nb. 1-2; (2007); p. 1 - 12 ; (from Gmelin), View in Reaxys 26 of 184

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

gas

Comment (IR Spectroscopy)

500 cm**-1 - 4000 cm**-1

Jie, Li; Yuwen, Liu; Jingyan, Shi; Zhiyong, Wang; Ling, Hu; Xi, Yang; Cunxin, Wang; Thermochimica Acta; vol. 467; nb. 1-2; (2007); p. 20 - 29 ; (from Gmelin), View in Reaxys 27 of 184

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

solid matrix

Temperature (IR Spectroscopy) [°C]

-259.16

Comment (IR Spectroscopy)

725 cm**-1 - 3302 cm**-1

Singh, Pradeep N. D.; Mandel, Sarah M.; Sankaranarayanan, Jagadis; Muthukrishnan, Sivaramakrishnan; Chang, Mingxin; Robinson, Rachel M.; Lahti, Paul M.; Ault, Bruce S.; Gudmundsdottir, Anna D.; Journal of the American Chemical Society; vol. 129; nb. 51; (2007); p. 16263 - 16272 ; (from Gmelin), View in Reaxys 28 of 184

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

neat (no solvent, gas phase)

Comment (IR Spectroscopy)

3300 cm**-1 - 3312 cm**-1

Stiles, Paul L.; Miller, Roger E.; Journal of Physical Chemistry A; vol. 111; nb. 31; (2007); p. 7382 - 7390 ; (from Gmelin), View in Reaxys 29 of 184

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

not given

182/296

2018-01-18 00:45:07

Signals [cm-1]

714

Jones; Armstrong; Parekunnel; Kwok; Journal of Thermal Analysis and Calorimetry; vol. 86; nb. 3; (2006); p. 641 - 649 ; (from Gmelin), View in Reaxys 30 of 184

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

further solvent(s)

Comment (IR Spectroscopy)

3305 cm**-1 - 3313 cm**-1

Lewis, William K.; Lindsay, C. Michael; Bemish, Raymond J.; Miller, Roger E.; Journal of the American Chemical Society; vol. 127; nb. 19; (2005); p. 7235 - 7242 ; (from Gmelin), View in Reaxys 31 of 184

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

solid matrix

Temperature (IR Spectroscopy) [°C]

-263.16

Signals [cm-1]

2088

Guennoun, Zohra; Pietri, Nathalie; Couturier-Tamburelli, Isabelle; Aycard, Jean-Pierre; Journal of Physical Chemistry A; vol. 109; nb. 37; (2005); p. 8299 - 8305 ; (from Gmelin), View in Reaxys 32 of 184

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

gas

Signals [cm-1]

713

Naidu, S. R.; Bhide, N. M.; Prabhakaran, K. V.; Kurian, E. M.; Journal of Thermal Analysis; vol. 44; (1995); p. 1449 - 1462, View in Reaxys; Kaljuvee; Pelt; Radin; Journal of Thermal Analysis and Calorimetry; vol. 78; nb. 2; (2004); p. 399 - 414 ; (from Gmelin), View in Reaxys 33 of 184

Description (IR Spectroscopy)

Spectrum

Solvent (IR Spectroscopy)

gas

Comment (IR Spectroscopy)

3240 cm**-1 - 3400 cm**-1

Li, Peng; Tan, Yen Ling; Fan, Wai Yip; Chemical Physics; vol. 302; nb. 1-3; (2004); p. 171 - 177 ; (from Gmelin), View in Reaxys 34 of 184

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

not given

Comment (IR Spectroscopy)

500 cm**-1 - 4000 cm**-1

Pushpa; Kumar, Awadhesh; Naik; Sapre; Indian Journal of Chemistry - Section A Inorganic, Physical, Theoretical and Analytical Chemistry; vol. 43; nb. 3; (2004); p. 481 - 486 ; (from Gmelin), View in Reaxys 35 of 184

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

gas

Comment (IR Spectroscopy)

400 cm**-1 - 4000 cm**-1

Mrozek-Lyszczek, Renata; Journal of Thermal Analysis and Calorimetry; vol. 78; nb. 2; (2004); p. 473 - 486 ; (from Gmelin), View in Reaxys

183/296

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36 of 184

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

gas

Comment (IR Spectroscopy)

650 cm**-1 - 4000 cm**-1

Madarasz, J.; Krunks, M.; Niinistoe, L.; Pokol, G.; Journal of Thermal Analysis and Calorimetry; vol. 78; (2004); p. 679 - 686 ; (from Gmelin), View in Reaxys 37 of 184

Description (IR Spectroscopy)

Spectrum

Solvent (IR Spectroscopy)

gaseous matrix

Temperature (IR Spectroscopy) [°C]

-258.16

Comment (IR Spectroscopy)

200 cm**-1 - 4000 cm**-1

Gemelt, Eliza; Muller, Jens; Inorganic Chemistry; vol. 43; nb. 13; (2004); p. 3955 - 3964 ; (from Gmelin), View in Reaxys 38 of 184

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

gaseous matrix

Temperature (IR Spectroscopy) [°C]

-258.16

Comment (IR Spectroscopy)

200 cm**-1 - 4000 cm**-1

Gemelt, Eliza; Muller, Jens; Inorganic Chemistry; vol. 43; nb. 13; (2004); p. 3955 - 3964 ; (from Gmelin), View in Reaxys 39 of 184

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

solid matrix

Comment (IR Spectroscopy)

737 cm**-1 - 3287 cm**-1

Dyke; Levita; Morris; Ogden; Dias; Algarra; Santos; Costa; Rodrigues; Barros; Journal of Physical Chemistry A; vol. 108; nb. 25; (2004); p. 5299 - 5307 ; (from Gmelin), View in Reaxys 40 of 184

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

gaseous matrix

Comment (IR Spectroscopy)

2000 cm**-1 - 2200 cm**-1

Nakata, Munetaka; Bulletin of the Chemical Society of Japan; vol. 75; nb. 6; (2002); p. 1173 - 1189 ; (from Gmelin), View in Reaxys 41 of 184

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

solid matrix

Comment (IR Spectroscopy)

727 cm**-1 - 3287 cm**-1

Hooper; Beeching; Dyke; Morris; Ogden; Dias; Costa; Barros; Cabral; Moutinho; Journal of Physical Chemistry A; vol. 106; nb. 42; (2002); p. 9968 - 9975 ; (from Gmelin), View in Reaxys

184/296

2018-01-18 00:45:07

42 of 184

Description (IR Spectroscopy)

Spectrum

Solvent (IR Spectroscopy)

gaseous matrix

Temperature (IR Spectroscopy) [°C]

-258.16

Comment (IR Spectroscopy)

3100 cm**-1 - 3306 cm**-1

Misochko, Eugenii Ya.; Akimov, Alexander V.; Goldschleger, Ilya U.; Wight, Charles A.; Journal of Chemical Physics; vol. 116; nb. 23; (2002); p. 10307 - 10317 ; (from Gmelin), View in Reaxys 43 of 184

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

gaseous matrix

Temperature (IR Spectroscopy) [°C]

-258.16

Comment (IR Spectroscopy)

3100 cm**-1 - 3306 cm**-1

Description (IR Spectroscopy)

Spectrum

Solvent (IR Spectroscopy)

gaseous matrix

Comment (IR Spectroscopy)

600 cm**-1 - 4000 cm**-1

Misochko; Goldschleger; Akimov; Wight; Journal of the American Chemical Society; vol. 123; nb. 21; (2001); p. 5156 - 5157 ; (from Gmelin), View in Reaxys 45 of 184

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

gaseous matrix

Comment (IR Spectroscopy)

600 cm**-1 - 4000 cm**-1

Misochko; Goldschleger; Akimov; Wight; Journal of the American Chemical Society; vol. 123; nb. 21; (2001); p. 5156 - 5157 ; (from Gmelin), View in Reaxys 46 of 184

Description (IR Spectroscopy)

Spectrum

Solvent (IR Spectroscopy)

further solvent(s)

Comment (IR Spectroscopy)

3305 cm**-1 - 3311.5 cm**-1

Moore; Ishiguro; Miller; Journal of Chemical Physics; vol. 115; nb. 11; (2001); p. 5144 - 5154 ; (from Gmelin), View in Reaxys 47 of 184

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

further solvent(s)

Comment (IR Spectroscopy)

3305 cm**-1 - 3311.5 cm**-1

Moore; Ishiguro; Miller; Journal of Chemical Physics; vol. 115; nb. 11; (2001); p. 5144 - 5154 ; (from Gmelin), View in Reaxys

185/296

2018-01-18 00:45:07

48 of 184

Description (IR Spectroscopy)

Spectrum

Solvent (IR Spectroscopy)

solid matrix

Temperature (IR Spectroscopy) [°C]

-265.65

Comment (IR Spectroscopy)

240 cm**-1 - 270 cm**-1

Khriachtchev, Leonid; Pettersson, Mika; Jolkkonen, Santtu; Raesaenen, Markku; Chemical Physics Letters; vol. 316; nb. 1-2; (2000); p. 115 - 121 ; (from Gmelin), View in Reaxys 49 of 184

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

gas

Signals [cm-1]

3241.75

Sevy, Eric T.; Muyskens, Mark A.; Rubin, Seth M.; Flynn, George W.; Muckerman, James T.; Journal of Chemical Physics; vol. 112; nb. 13; (2000); p. 5829 - 5843 ; (from Gmelin), View in Reaxys 50 of 184

Description (IR Spectroscopy)

Spectrum

Solvent (IR Spectroscopy)

further solvent(s)

Temperature (IR Spectroscopy) [°C]

Comment (IR Spectroscopy)

2020 cm**-1 - 2120 cm**-1

Andrews, Steven S.; Boxer, Steven G.; Journal of Physical Chemistry A; vol. 104; nb. 51; (2000); p. 11853 11863 ; (from Gmelin), View in Reaxys 51 of 184

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

further solvent(s)

Temperature (IR Spectroscopy) [°C]

Comment (IR Spectroscopy)

2020 cm**-1 - 2120 cm**-1

Andrews, Steven S.; Boxer, Steven G.; Journal of Physical Chemistry A; vol. 104; nb. 51; (2000); p. 11853 11863 ; (from Gmelin), View in Reaxys 52 of 184

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

water

Temperature (IR Spectroscopy) [°C]

Signals [cm-1]

2093

Andrews, Steven S.; Boxer, Steven G.; Journal of Physical Chemistry A; vol. 104; nb. 51; (2000); p. 11853 11863 ; (from Gmelin), View in Reaxys 53 of 184

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

gas

Comment (IR Spectroscopy)

3238.20 cm**-1 - 3248.48 cm**-1

186/296

2018-01-18 00:45:07

Park, Jeunghee; Chemical Physics Letters; vol. 293; nb. 5-6; (1998); p. 383 - 390 ; (from Gmelin), View in Reaxys 54 of 184

Description (IR Spectroscopy)

Spectrum

Solvent (IR Spectroscopy)

solid matrix

Temperature (IR Spectroscopy) [°C]

-265.66

Comment (IR Spectroscopy)

690 cm**-1 - 3315 cm**-1

Pettersson, Mika; Lundell, Jan; Khriachtchev, Leonid; Raesaenen, Markku; Journal of Chemical Physics; vol. 109; nb. 2; (1998); p. 618 - 625 ; (from Gmelin), View in Reaxys 55 of 184

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

solid matrix

Temperature (IR Spectroscopy) [°C]

-265.66

Comment (IR Spectroscopy)

690 cm**-1 - 3315 cm**-1

Pettersson, Mika; Lundell, Jan; Khriachtchev, Leonid; Raesaenen, Markku; Journal of Chemical Physics; vol. 109; nb. 2; (1998); p. 618 - 625 ; (from Gmelin), View in Reaxys 56 of 184

Description (IR Spectroscopy)

Spectrum

Solvent (IR Spectroscopy)

neat (no solvent)

Comment (IR Spectroscopy)

600 cm**-1 - 2500 cm**-1

Grussdorf; Temps; Gg Wagner; Berichte der Bunsengesellschaft/Physical Chemistry Chemical Physics; vol. 101; nb. 1; (1997); p. 134 - 138 ; (from Gmelin), View in Reaxys 57 of 184

Description (IR Spectroscopy)

Spectrum

Solvent (IR Spectroscopy)

solid matrix

Comment (IR Spectroscopy)

700 cm**-1 - 3300 cm**-1

Satoshi, Kudoh; Takayanagi, Masao; Nakata, Munetaka; Journal of Molecular Structure; vol. 413-414; (1997); p. 365 - 369 ; (from Gmelin), View in Reaxys 58 of 184

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

gas

Signals [cm-1]

710

Makashir; Kurian; Journal of Thermal Analysis and Calorimetry; vol. 46; nb. 1; (1996); p. 225 - 236 ; (from Gmelin), View in Reaxys 59 of 184

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

gas

Temperature (IR Spectroscopy) [°C]

22.75 - 26.05

Comment (IR Spectroscopy)

1800 cm**-1 - 10500 cm**-1

187/296

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Quapp, Wolfgang; Klee, Stefan; Mellau, Georg Ch.; Albert, Sieghard; Maki, Arthur; Journal of Molecular Spectroscopy; vol. 167; (1994); p. 375 - 382 ; (from Gmelin), View in Reaxys 60 of 184

Description (IR Spectroscopy)

Spectrum

Solvent (IR Spectroscopy)

gas

Comment (IR Spectroscopy)

3100 cm**-1 - 3400 cm**-1

Morris, Vernon R.; Mohammad, Fida; Valdry, Lynnette; Jackson, William M.; Chemical Physics Letters; vol. 220; (1994); p. 448 - 454 ; (from Gmelin), View in Reaxys 61 of 184

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

gas

Comment (IR Spectroscopy)

610 cm**-1 - 810 cm**-1

Schmidt, Carole; Lambot, Daniel; Walrand, Jacques; Blanquet, Ghislain; Bouanich, Jean-Pierre; Journal of Molecular Spectroscopy; vol. 151; (1992); p. 292 - 302 ; (from Gmelin), View in Reaxys 62 of 184

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

gas

Temperature (IR Spectroscopy) [°C]

20.9 - 22.9

Comment (IR Spectroscopy)

2600 cm**-1 - 4004.16 cm**-1

Pine, A. S.; Looney, J. P.; Journal of Chemical Physics; vol. 96; nb. 3; (1992); p. 1704 - 1714 ; (from Gmelin), View in Reaxys 63 of 184

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

gas

Temperature (IR Spectroscopy) [°C]

Comment (IR Spectroscopy)

712 cm**-1 - 3311 cm**-1

Schulz, Axel; Klapoetke, Thomas M.; Journal of Organometallic Chemistry; vol. 436; nb. 2; (1992); p. 179 - 183 ; (from Gmelin), View in Reaxys 64 of 184

Description (IR Spectroscopy)

Spectrum

Solvent (IR Spectroscopy)

neat (no solvent, gas phase)

Comment (IR Spectroscopy)

3200 cm**-1 - 3400 cm**-1

Evans, Richard A.; Lorencak, Primoz; Ha, Tae-Kyu; Wentrup, Curt; Journal of the American Chemical Society; vol. 113; nb. 19; (1991); p. 7261 - 7276 ; (from Gmelin), View in Reaxys 65 of 184

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

neat (no solvent, gas phase)

Comment (IR Spectroscopy)

3200 cm**-1 - 3400 cm**-1

188/296

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Evans, Richard A.; Lorencak, Primoz; Ha, Tae-Kyu; Wentrup, Curt; Journal of the American Chemical Society; vol. 113; nb. 19; (1991); p. 7261 - 7276 ; (from Gmelin), View in Reaxys 66 of 184

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

neat (no solvent, solid phase)

Temperature (IR Spectroscopy) [°C]

-196

Comment (IR Spectroscopy)

824 cm**-1 - 3140 cm**-1

Evans, Richard A.; Lorencak, Primoz; Ha, Tae-Kyu; Wentrup, Curt; Journal of the American Chemical Society; vol. 113; nb. 19; (1991); p. 7261 - 7276 ; (from Gmelin), View in Reaxys 67 of 184

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

gaseous matrix

Temperature (IR Spectroscopy) [°C]

21.9 - 23.9

Comment (IR Spectroscopy)

10 cm**-1 - 100 cm**-1

Sergent-Rozey, M.; Nguyen-Van-Thanh; Rossi, I.; Bouanich, J. P.; Journal of Molecular Spectroscopy; vol. 142; (1990); p. 182 - 190 ; (from Gmelin), View in Reaxys 68 of 184

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

gas

Temperature (IR Spectroscopy) [°C]

Comment (IR Spectroscopy)

620 cm**-1 - 820 cm**-1

Duxbury, Geoffrey; Gang, Yu; Journal of Molecular Spectroscopy; vol. 138; (1989); p. 541 - 561 ; (from Gmelin), View in Reaxys 69 of 184

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

solid matrix

Temperature (IR Spectroscopy) [°C]

-261

Comment (IR Spectroscopy)

250 cm**-1 - 3400 cm**-1

Bohn, Robert B.; Andrews, Lester; Journal of Physical Chemistry; vol. 93; nb. 10; (1989); p. 3974 - 3979 ; (from Gmelin), View in Reaxys 70 of 184

Description (IR Spectroscopy)

Spectrum

Solvent (IR Spectroscopy)

neat (no solvent, gas phase)

Temperature (IR Spectroscopy) [°C]

Comment (IR Spectroscopy)

5806.15 cm**-1 - 13702.2 cm**-1

Smith, Alice M.; Coy, Stephen L.; Klemperer, William; Journal of Molecular Spectroscopy; vol. 134; (1989); p. 134 - 153 ; (from Gmelin), View in Reaxys

189/296

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71 of 184

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

neat (no solvent, gas phase)

Temperature (IR Spectroscopy) [°C]

Comment (IR Spectroscopy)

5806.15 cm**-1 - 13702.2 cm**-1

Smith, Alice M.; Coy, Stephen L.; Klemperer, William; Journal of Molecular Spectroscopy; vol. 134; (1989); p. 134 - 153 ; (from Gmelin), View in Reaxys 72 of 184

Description (IR Spectroscopy)

Spectrum

Solvent (IR Spectroscopy)

solid matrix

Comment (IR Spectroscopy)

300 cm**-1 - 4000 cm**-1

Stroh, F.; Winnewisser, B. P.; Winnewisser, M.; Reisenauer, H. P.; Maier, G.; et al.; Chemical Physics Letters; vol. 160; (1989); p. 105 - 112 ; (from Gmelin), View in Reaxys 73 of 184

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

solid matrix

Comment (IR Spectroscopy)

300 cm**-1 - 4000 cm**-1

Stroh, F.; Winnewisser, B. P.; Winnewisser, M.; Reisenauer, H. P.; Maier, G.; et al.; Chemical Physics Letters; vol. 160; (1989); p. 105 - 112 ; (from Gmelin), View in Reaxys 74 of 184

Description (IR Spectroscopy)

Spectrum

Solvent (IR Spectroscopy)

neat (no solvent, solid phase)

Comment (IR Spectroscopy)

50 cm**-1 - 350 cm**-1

Langel, W.; Kollhoff, H.; Knoezinger, E.; Journal of Chemical Physics; vol. 90; nb. 7; (1989); p. 3430 - 3442 ; (from Gmelin), View in Reaxys 75 of 184

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

neat (no solvent, solid phase)

Comment (IR Spectroscopy)

50 cm**-1 - 350 cm**-1

Langel, W.; Kollhoff, H.; Knoezinger, E.; Journal of Chemical Physics; vol. 90; nb. 7; (1989); p. 3430 - 3442 ; (from Gmelin), View in Reaxys 76 of 184

Description (IR Spectroscopy)

Spectrum

Solvent (IR Spectroscopy)

neat (no solvent, gas phase)

Comment (IR Spectroscopy)

3316.5 cm**-1 - 3317.4 cm**-1

Fraser, G. T.; Pine, A. S.; Journal of Chemical Physics; vol. 91; nb. 6; (1989); p. 3319 - 3326 ; (from Gmelin), View in Reaxys 77 of 184

Description (IR Spectroscopy)

Bands

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Solvent (IR Spectroscopy)

neat (no solvent, gas phase)

Comment (IR Spectroscopy)

3316.5 cm**-1 - 3317.4 cm**-1

Fraser, G. T.; Pine, A. S.; Journal of Chemical Physics; vol. 91; nb. 6; (1989); p. 3319 - 3326 ; (from Gmelin), View in Reaxys 78 of 184

Description (IR Spectroscopy)

Spectrum

Solvent (IR Spectroscopy)

neat (no solvent, gas phase)

Comment (IR Spectroscopy)

2000 cm**-1 - 2300 cm**-1

Paul; Worley; Hoffman; Ash; Gautney; Journal of physical chemistry; vol. 93; nb. 11; (1989); p. 4598 - 4603 ; (from Gmelin), View in Reaxys 79 of 184

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

neat (no solvent, gas phase)

Comment (IR Spectroscopy)

2000 cm**-1 - 2300 cm**-1

Paul; Worley; Hoffman; Ash; Gautney; Journal of physical chemistry; vol. 93; nb. 11; (1989); p. 4598 - 4603 ; (from Gmelin), View in Reaxys 80 of 184

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

solid matrix

Temperature (IR Spectroscopy) [°C]

-265

Comment (IR Spectroscopy)

2050 cm**-1 - 2150 cm**-1

George, W. O.; Lewis, Rh.; Hussain, G.; Rees, G. J.; Journal of Molecular Structure; vol. 189; (1988); p. 211 226 ; (from Gmelin), View in Reaxys 81 of 184

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

gas

Comment (IR Spectroscopy)

6420 cm**-1 - 6590 cm**-1

Sasada, Hiroyuki; Journal of Chemical Physics; vol. 88; nb. 2; (1988); p. 767 - 777 ; (from Gmelin), View in Reaxys 82 of 184

Description (IR Spectroscopy)

Spectrum

Solvent (IR Spectroscopy)

gaseous matrix

Comment (IR Spectroscopy)

3100 cm**-1 - 3400 cm**-1

Anex, Deon S.; Davidson, Ernest R.; Douketis, Constantine; Ewing, George E.; Journal of Physical Chemistry; vol. 92; (1988); p. 2913 - 2925 ; (from Gmelin), View in Reaxys 83 of 184

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

gaseous matrix

Comment (IR Spectroscopy)

3100 cm**-1 - 3400 cm**-1

191/296

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Anex, Deon S.; Davidson, Ernest R.; Douketis, Constantine; Ewing, George E.; Journal of Physical Chemistry; vol. 92; (1988); p. 2913 - 2925 ; (from Gmelin), View in Reaxys 84 of 184

Description (IR Spectroscopy)

Spectrum

Solvent (IR Spectroscopy)

not given

Comment (IR Spectroscopy)

712 cm**-1 - 716 cm**-1

Hietanen, J.; Jolma, K.; Horneman, V. -M.; Journal of Molecular Spectroscopy; vol. 127; (1988); p. 272 - 274 ; (from Gmelin), View in Reaxys 85 of 184

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

not given

Comment (IR Spectroscopy)

712 cm**-1 - 716 cm**-1

Hietanen, J.; Jolma, K.; Horneman, V. -M.; Journal of Molecular Spectroscopy; vol. 127; (1988); p. 272 - 274 ; (from Gmelin), View in Reaxys 86 of 184

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

neat (no solvent, gas phase)

Comment (IR Spectroscopy)

2096.84 cm**-1 - 18377 cm**-1

Baggott, James E.; Caldow, Gordon L.; Mills, Ian M.; Journal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics; vol. 84; (1988); p. 1407 - 1422 ; (from Gmelin), View in Reaxys 87 of 184

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

gaseous matrix

Temperature (IR Spectroscopy) [°C]

Comment (IR Spectroscopy)

2096.84 cm**-1 - 18377 cm**-1

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

CCl4

Temperature (IR Spectroscopy) [°C]

-43

Comment (IR Spectroscopy)

3000 cm**-1 - 3400 cm**-1

Schrems, O.; Huth, M.; Kollhoff, H.; Wittenbeck, R.; Knoezinger, E.; Berichte der Bunsen-Gesellschaft; vol. 91; (1987); p. 1261 - 1266 ; (from Gmelin), View in Reaxys 89 of 184

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

solid matrix

Temperature (IR Spectroscopy) [°C]

-261

192/296

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Comment (IR Spectroscopy)

10 cm**-1 - 4000 cm**-1

Schrems, O.; Huth, M.; Kollhoff, H.; Wittenbeck, R.; Knoezinger, E.; Berichte der Bunsen-Gesellschaft; vol. 91; (1987); p. 1261 - 1266 ; (from Gmelin), View in Reaxys 90 of 184

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

gas

Temperature (IR Spectroscopy) [°C]

Comment (IR Spectroscopy)

1950 cm**-1 - 2250 cm**-1

Choe, J.-I.; Kwak, D. K.; Kukolich, S. G.; Journal of Molecular Spectroscopy; vol. 121; (1987); p. 75 - 83 ; (from Gmelin), View in Reaxys 91 of 184

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

CsI

Temperature (IR Spectroscopy) [°C]

-261

Comment (IR Spectroscopy)

700 cm**-1 - 3400 cm**-1

Hunt, Rodney D.; Andrews, Lester; Inorganic Chemistry; vol. 26; (1987); p. 3051 - 3054 ; (from Gmelin), View in Reaxys 92 of 184

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

CCl4

Temperature (IR Spectroscopy) [°C]

-43.15 - -15.65

Comment (IR Spectroscopy)

2060 cm**-1 - 3400 cm**-1

Knoezinger, Erich; Kollhoff, Helmut; Langel, Walter; Journal of Chemical Physics; vol. 85; nb. 9; (1986); p. 4881 - 4889 ; (from Gmelin), View in Reaxys 93 of 184

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

solid matrix

Temperature (IR Spectroscopy) [°C]

-73.15 - -43.15

Comment (IR Spectroscopy)

2060 cm**-1 - 3400 cm**-1

Knoezinger, Erich; Kollhoff, Helmut; Langel, Walter; Journal of Chemical Physics; vol. 85; nb. 9; (1986); p. 4881 - 4889 ; (from Gmelin), View in Reaxys 94 of 184

Description (IR Spectroscopy)

Spectrum

Solvent (IR Spectroscopy)

solid matrix

Temperature (IR Spectroscopy) [°C]

-43.15

Comment (IR Spectroscopy)

3000 cm**-1 - 3400 cm**-1

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Knoezinger, E.; Kollhoff, H.; Schrems, O.; Langel, W.; Journal of Molecular Structure; vol. 141; (1986); p. 399 404 ; (from Gmelin), View in Reaxys 95 of 184

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

solid matrix

Temperature (IR Spectroscopy) [°C]

-33.15

Comment (IR Spectroscopy)

50 cm**-1 - 250 cm**-1

Knoezinger, Erich; Kollhoff, Helmut; Langel, Walter; Journal of Chemical Physics; vol. 85; nb. 9; (1986); p. 4881 - 4889 ; (from Gmelin), View in Reaxys 96 of 184

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

neat (no solvent, gas phase)

Comment (IR Spectroscopy)

3000 cm**-1 - 3700 cm**-1

Choe, J.-I.; Tipton, T.; Kukolich, S. G.; Journal of Molecular Spectroscopy; vol. 117; (1986); p. 292 - 307 ; (from Gmelin), View in Reaxys 97 of 184

Description (IR Spectroscopy)

Fine structure of IR bands

Maki; Blaine; Journal of Molecular Spectroscopy; vol. 12; (1964); p. 45, View in Reaxys; Anderson; Overend; Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy; vol. 28; (1972); p. 1225,1226, View in Reaxys; Yin; Rao; Journal of Molecular Spectroscopy; vol. 42; (1972); p. 385,386-392, View in Reaxys; Maki et al.; Journal of the Optical Society of America; vol. 54; (1964); p. 869, View in Reaxys; Kyroe, E. K.; ShojaChaghervand, P.; Eliades, M.; Danzeiser, D.; Lieb, S. G.; Bevan, J. W.; Canadian Journal of Chemistry; vol. 63; (1985); p. 1870 - 1873, View in Reaxys 98 of 184

Description (IR Spectroscopy)

Spectrum

Solvent (IR Spectroscopy)

gas

Comment (IR Spectroscopy)

3340 - 3280 cm**(-1)

Kyroe, E. K.; Shoja-Chaghervand, P.; Eliades, M.; Danzeiser, D.; Lieb, S. G.; Bevan, J. W.; Canadian Journal of Chemistry; vol. 63; (1985); p. 1870 - 1873, View in Reaxys 99 of 184

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

gas

Comment (IR Spectroscopy)

3340 - 3280 cm**(-1)

Kyroe, E. K.; Shoja-Chaghervand, P.; Eliades, M.; Danzeiser, D.; Lieb, S. G.; Bevan, J. W.; Canadian Journal of Chemistry; vol. 63; (1985); p. 1870 - 1873, View in Reaxys 100 of 184 Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

solid matrix

Temperature (IR Spectroscopy) [°C]

-259.15

Comment (IR Spectroscopy)

640 cm**-1 - 3360 cm**-1

Ault, Bruce S.; Journal of Molecular Structure; vol. 130; (1985); p. 215 - 226 ; (from Gmelin), View in Reaxys

194/296

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101 of 184 Description (IR Spectroscopy)

Spectrum

Solvent (IR Spectroscopy)

solid matrix

Temperature (IR Spectroscopy) [°C]

-264

Comment (IR Spectroscopy)

710 cm**-1 - 4007.6 cm**-1

Abbate, Alison D.; Moore, C. Bradley; Journal of Chemical Physics; vol. 82; nb. 3; (1985); p. 1255 - 1262 ; (from Gmelin), View in Reaxys 102 of 184 Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

solid matrix

Temperature (IR Spectroscopy) [°C]

-264

Comment (IR Spectroscopy)

710 cm**-1 - 4007.6 cm**-1

Abbate, Alison D.; Moore, C. Bradley; Journal of Chemical Physics; vol. 82; nb. 3; (1985); p. 1255 - 1262 ; (from Gmelin), View in Reaxys 103 of 184 Description (IR Spectroscopy)

Spectrum

Solvent (IR Spectroscopy)

neat (no solvent, gas phase)

Temperature (IR Spectroscopy) [°C]

26.85

Comment (IR Spectroscopy)

2000 cm**-1 - 2200 cm**-1

Maroncelli, M.; Hopkins, G. A.; Nibler, J. W.; Dyke, T. R.; Journal of Chemical Physics; vol. 83; nb. 5; (1985); p. 2129 - 2146 ; (from Gmelin), View in Reaxys 104 of 184 Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

neat (no solvent, gas phase)

Temperature (IR Spectroscopy) [°C]

26.85

Comment (IR Spectroscopy)

2000 cm**-1 - 2200 cm**-1

Maroncelli, M.; Hopkins, G. A.; Nibler, J. W.; Dyke, T. R.; Journal of Chemical Physics; vol. 83; nb. 5; (1985); p. 2129 - 2146 ; (from Gmelin), View in Reaxys 105 of 184 Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

neat (no solvent)

Comment (IR Spectroscopy)

2090 cm**(-1)

Briehl, Horst; Lukosch, Adelheid; Wentrup, Curt; Journal of Organic Chemistry; vol. 49; nb. 15; (1984); p. 2772 2779, View in Reaxys 106 of 184 Description (IR Spectroscopy) Solvent (IR Spectroscopy)

Bands solid matrix

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Temperature (IR Spectroscopy) [°C]

-262.65

Comment (IR Spectroscopy)

10 cm**-1 - 200 cm**-1

Knoezinger, Erich; Wittenbeck, Ruediger; Journal of Chemical Physics; vol. 80; nb. 12; (1984); p. 5979 - 5982 ; (from Gmelin), View in Reaxys 107 of 184 Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

gas

Temperature (IR Spectroscopy) [°C]

Comment (IR Spectroscopy)

3220 cm**-1 - 3380 cm**-1

Smith, M. A. H.; Harvey, G. A.; Pellett, G. L.; Journal of Molecular Spectroscopy; vol. 105; (1984); p. 105 - 112 ; (from Gmelin), View in Reaxys 108 of 184 Description (IR Spectroscopy)

Spectrum

Solvent (IR Spectroscopy)

solid

Comment (IR Spectroscopy)

400 cm**-1 - 4000 cm**-1

Lehmann, K. K.; Scherer, G. J.; Klemperer, W.; Journal of Chemical Physics; vol. 76; (1982); p. 6441 - 6442 ; (from Gmelin), View in Reaxys 109 of 184 Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

gaseous matrix

Comment (IR Spectroscopy)

800 cm**-1 - 2000 cm**-1

Duxbury, G.; Lerre, M. L. le; Journal of Molecular Spectroscopy; vol. 92; (1982); p. 326 - 348 ; (from Gmelin), View in Reaxys 110 of 184

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

gaseous matrix

Comment (IR Spectroscopy)

3303 - 720 cm**(-1)

Krantz, A.; Laureni, J.; Journal of the American Chemical Society; vol. 103; nb. 3; (1981); p. 486 - 496, View in Reaxys 111 of 184

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

various solvent(s)

Temperature (IR Spectroscopy) [°C]

-188.2

Comment (IR Spectroscopy)

2076 cm**(-1)

Toubro, Nils Henrik; Holm, Arne; Journal of the American Chemical Society; vol. 102; nb. 6; (1980); p. 2093 2094, View in Reaxys 112 of 184

Description (IR Spectroscopy)

Intensity of IR bands

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Caldow et al.; Proceedings of the Royal Society of London, Series A: Mathematical, Physical and Engineering Sciences; vol. 254; (1960); p. 17,22, View in Reaxys; Kim; King; Journal of Chemical Physics; vol. 71; (1979); p. 1967, View in Reaxys; Girin et al.; Optics and Spectroscopy; vol. 25; (1968); p. 111; ; p. 207, View in Reaxys 113 of 184

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

neat (no solvent, gas phase)

Comment (IR Spectroscopy)

712 cm**-1 - 3312 cm**-1

Kim; King; Journal of Chemical Physics; vol. 71; (1979); p. 1967 ; (from Gmelin), View in Reaxys 114 of 184

Description (IR Spectroscopy)

Spectrum

Pacansky; Journal of Physical Chemistry; vol. 81; (1977); p. 2240, View in Reaxys; Abrams; Smith; Analytical Chemistry; vol. 34; (1962); p. 1129,1131, View in Reaxys; Field; Sherman; Journal of Chemical Physics; vol. 47; (1967); p. 2378,2382, View in Reaxys; Kozirovski; Folman; Transactions of the Faraday Society; vol. 62; (1966); p. 808,811, View in Reaxys; Kozirovski; Folman; Transactions of the Faraday Society; vol. 60; (1964); p. 1532, View in Reaxys; Maki; Blaine; Journal of Molecular Spectroscopy; vol. 12; (1964); p. 45, View in Reaxys; Jones et al.; Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy; vol. 25; (1969); p. 385,387,389, View in Reaxys; King; Nixon; Journal of Chemical Physics; vol. 48; (1968); p. 1685,1689, View in Reaxys; Rank et al.; Journal of the Optical Society of America; vol. 51; (1961); p. 929,930-936; Chem.Abstr.; nb. 3035; (1962), View in Reaxys; Kozirovski; Folman; Israel Journal of Chemistry; vol. 2; (1964); p. 280, View in Reaxys; Walsh et al.; Journal of Molecular Spectroscopy; vol. 72; (1978); p. 44, View in Reaxys; Perelygin; Klimchuk; Doklady Physical Chemistry; vol. 206; (1972); p. 790; ; p. 395, View in Reaxys; Friedrich; Krause; Journal of Chemical Physics; vol. 59; (1973); p. 4942, View in Reaxys; Baglin et al.; Molecular Crystals and Liquid Crystals (1969-1991); vol. 10; (1970); p. 47, View in Reaxys; Davies; Discussions of the Faraday Society; vol. 48; (1969); p. 181,185, View in Reaxys 115 of 184

Description (IR Spectroscopy)

Fermi resonance

Mishra; Mohanty; Journal of Chemical Physics; vol. 69; (1978); p. 2064, View in Reaxys 116 of 184

Description (IR Spectroscopy)

Flowers,W.T. et al.; Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999); (1976); p. 2394 - 2398, View in Reaxys; Hoffman; Hornig; Journal of Chemical Physics; vol. 17; (1949); p. 1163, View in Reaxys; Segal; Klein; Journal of Chemical Physics; vol. 47; (1967); p. 4236,4239, View in Reaxys; Cottrell et al.; Transactions of the Faraday Society; vol. 62; (1966); p. 2655,2664, View in Reaxys; Maki; Lide; Journal of Chemical Physics; vol. 47; (1967); p. 3206,3209, View in Reaxys; Caldow; Thompson; Proceedings of the Royal Society of London, Series A: Mathematical, Physical and Engineering Sciences; vol. 254; (1960); p. 1, View in Reaxys; Rao et al.; Journal of Research of the National Bureau of Standards, Section A: Physics and Chemistry; vol. 67; (1963); p. 351,355, View in Reaxys; Burden; Millen; Journal of Molecular Spectroscopy; vol. 14; (1964); p. 97, View in Reaxys; Mettee; Journal of Physical Chemistry; vol. 77; (1973); p. 1762, View in Reaxys; Bonnet; Paris; Bulletin de la Societe Chimique de France; (1975); p. 1062,1065, View in Reaxys; Bunker; Stone; Journal of Molecular Spectroscopy; vol. 41; (1972); p. 310,311-332, View in Reaxys; Sams; Maki; Journal of Molecular Structure; vol. 26; (1975); p. 107,112,113, View in Reaxys; Maki et al.; Journal of Molecular Spectroscopy; vol. 58; (1975); p. 308,309-311, 313, View in Reaxys; Akopyan; Bakhshiev; Optics and Spectroscopy; vol. 26; (1969); p. 297; ; p. 537, View in Reaxys; Barnes et al.; Journal of the Chemical Society [Section] D: Chemical Communications; (1969); p. 1089, View in Reaxys; Ismail et al.; Journal of Chemical Physics; vol. 57; (1972); p. 5137,5139, View in Reaxys; Krause; Friedrich; Journal of Physical Chemistry; vol. 76; (1972); p. 1140, View in Reaxys; Uyemura; Maeda; Bulletin of the Chemical Society of Japan; vol. 45; (1972); p. 1081, View in Reaxys; Dove; Hallett; Journal of the Chemical Society [Section] A: Inorganic, Physical, Theoretical; (1969); p. 2781, View in Reaxys; Guttenberger; Chemische Berichte; vol. 101; (1968); p. 403,406, View in Reaxys; Caldow, G. L.; Cunliffe-Jones, D.; Thompson, H. W.; Proceedings of the Royal Society of London, Series A: Mathematical, Physical and Engineering Sciences; vol. 254; (1960); p. 17 - 29, View in Reaxys; Caldow, G. L.; Thompson, H. W.; Proceedings of the Royal Society of London, Series A: Mathematical, Physical and Engineering Sciences; vol. 254; (1960); p. 1 - 16, View in Reaxys; Caldow, G. L.; Proceedings of the Royal Society of London, Series A: Mathematical, Physical and Engineering Sciences; vol. 255; (1960); p. 30 - 32, View in Reaxys; Hummel, D.; Janssen, O.; Zeitschrift fuer Physikalische Chemie (Muenchen); vol. 31; (1962); p. 111 - 139, View in Reaxys; Kurabayashi, M.; Yanagiya, K.; Yasumoto, M.; Kamakura, T.; Kogyo Kagaku Zasshi; vol. 70; (1967); p. 1106 - 1111, View in Reaxys; Kurabayashi, M.; Yanagiya, K.; Yasumoto, M.; Kamakura, T.; Tokyo Kogyo Shikensho Hokoku; vol. 64; (1969); p. 57 - 67, View in Reaxys; Kurabayashi, M.; Yanagiya, K.; Yasumoto, M.; Tokyo Kogyo Shikensho Hokoku; vol. 64; (1969); p. 78 - 87, View in Reaxys; Maki, A. G.; Olson, W. B.; Sams, R. L.; J. Mol. Spectrosc.; vol. 36; (1970); p. 433 - 447, View in Reaxys; Rank, D. H.; Guenther, A. H.; Shearer, J. N.; Wiggins, T. A.; Journal of the Optical Society of America; vol. 47; (1957); p. 148 - 150, View in Reaxys; Rank, D. H.; Shearer, J. N.; Wiggins, T. A.; Physical Review; vol. 94; (1954); p. 575 - 578, View in Reaxys; Rank, D. H.; Rev. Mod. Phys.; vol. 34; (1962); p. 577 - 581, View in Reaxys; Rank, D. H.; Advan. Spectry.; vol. 1; (1959); p. 79 - 90, View in Reaxys; Rank,

197/296

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H. D.; J. Mol. Spectrosc.; vol. 17; (1965); p. 50 - 57, View in Reaxys; Ruske, W.; Ruske, E.; Chemische Berichte; vol. 91; (1958); p. 2496 - 2504, View in Reaxys; Ruske, W.; Wiss. Z. Humboldt-Univ. Berlin Math. Naturw. Reihe; vol. 8; (1958); p. 557 - 572, View in Reaxys; Voelker, T.; Angewandte Chemie; vol. 69; (1957); p. 728 - 729, View in Reaxys; Voelker, T.; Angewandte Chemie; vol. 72; (1960); p. 379 - 384, View in Reaxys; vol. C: MVol.D1; 15.11.11.7, page 224 - 242, View in Reaxys; vol. C: MVol.D1; 15.5.8, page 167 - 170, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193, View in Reaxys; vol. C: MVol.D1; 18.3, page 252 - 255, View in Reaxys; Hornig, D. F.; Discussions Faraday Soc. Nr. 9 (1950) 115/24, View in Reaxys; Rank, D. H.; Eastman, D. P.; Rao, B. S.; Wiggins, T. A.; Journal of the Optical Society of America; vol. 51; (1961); p. 929 - 936, View in Reaxys; Ruske, W.; Becker, M.; Jahns, H. J.; Z. Chem. (Leipzig); vol. 1; (1961); p. 271 - 274 ; (from Gmelin), View in Reaxys 117 of 184

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

solid

Comment (IR Spectroscopy)

105 cm**-1 - 224 cm**-1

Baglin, F. G.; Coulter, G. L.; Durig, J. R.; Mol. Cryst. Liquid. Cryst.; vol. 10; (1970); p. 47 - 60 ; (from Gmelin), View in Reaxys 118 of 184

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

solid

Signals [cm-1]

838

Hochard-Demolliere, L.; Alamichel, C.; Arcas, P.; Journal de Physique (Paris); vol. 28; (1967); p. 421 - 426 ; (from Gmelin), View in Reaxys 119 of 184

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

neat (no solvent)

Signals [cm-1]

2113.45

Maki, A. G.; Lide, D. R.; Journal of Chemical Physics; vol. 47; (1967); p. 3206 - 3210, View in Reaxys; vol. C: MVol.D1; 15.5.20, page 178 - 185 ; (from Gmelin), View in Reaxys 120 of 184 Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

not given

Comment (IR Spectroscopy)

713.46 cm**-1 - 3311.47 cm**-1

Maki, A. G.; Lide, D. R.; Journal of Chemical Physics; vol. 47; (1967); p. 3206 - 3210, View in Reaxys; vol. C: MVol.D1; 15.5.9, page 170 - 175, View in Reaxys; Herzberg, G.; Molecular Spectra and Molecular Structure III. Electronic Spectra and Electronic Structure of Polyatomic Molecules, Princeton - Toronto - New York - London 1966, S. 588 ; (from Gmelin), View in Reaxys 121 of 184 Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

neat (no solvent)

Comment (IR Spectroscopy)

125 cm**-1 - 130 cm**-1

Janak, J.; Optika i Spektroskopiya; vol. 20; (1966); p. 80 - 84; Optika i Spektroskopiya; vol. 20; (1966); p. 154 - 162, View in Reaxys; vol. C: MVol.D1; 15.5.20, page 178 - 185 ; (from Gmelin), View in Reaxys 122 of 184 Description (IR Spectroscopy)

Reflection spectrum

Kortuem; Delfs; Spectrochimica Acta; vol. 20; (1964); p. 405,412, View in Reaxys 123 of 184 Description (IR Spectroscopy)

Bands

198/296

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Solvent (IR Spectroscopy)

neat (no solvent)

Signals [cm-1]

2805.59

Maki; Blaine; Journal of Molecular Spectroscopy; vol. 12; (1964); p. 45, View in Reaxys; vol. C: MVol.D1; 15.5.20, page 178 - 185 ; (from Gmelin), View in Reaxys 124 of 184 Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

neat (no solvent)

Comment (IR Spectroscopy)

710 cm**-1 - 3990 cm**-1

Maki; Blaine; Journal of Molecular Spectroscopy; vol. 12; (1964); p. 45, View in Reaxys; vol. C: MVol.D1; 15.5.20, page 178 - 185 ; (from Gmelin), View in Reaxys 125 of 184 Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

not given

Signals [cm-1]

2096.86

Maki; Blaine; Journal of Molecular Spectroscopy; vol. 12; (1964); p. 45, View in Reaxys; vol. C: MVol.D1; 15.5.9, page 170 - 175 ; (from Gmelin), View in Reaxys 126 of 184 Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

solid

Signals [cm-1]

3130

Thibault, R. J.; Maki, A. G.; Plyler, E. K.; Journal of the Optical Society of America; vol. 53; (1963); p. 1255 - 1258 ; (from Gmelin), View in Reaxys 127 of 184 Description (IR Spectroscopy)

Polarization of IR bands

Illinger; Smyth; Journal of Chemical Physics; vol. 32; (1960); p. 787,797, View in Reaxys 128 of 184 Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

neat (no solvent)

Signals [cm-1]

5393.7

Rank, D. H.; Skorinko, G.; Eastman, D. P.; Wiggins, T. A.; Journal of the Optical Society of America; vol. 50; (1960); p. 421 - 432, View in Reaxys; vol. C: MVol.D1; 15.5.20, page 178 - 185 ; (from Gmelin), View in Reaxys 129 of 184 Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

neat (no solvent)

Comment (IR Spectroscopy)

710 cm**-1 - 18380 cm**-1

Bands

Solvent (IR Spectroscopy)

not given

Signals [cm-1]

711.982

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Brim, W. W.; Hoffman, J. M.; Nielsen, H. H.; Rao, K. N.; Journal of the Optical Society of America; vol. 50; (1960); p. 1208 - 1213, View in Reaxys; vol. C: MVol.D1; 15.5.9, page 170 - 175 ; (from Gmelin), View in Reaxys 131 of 184 Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

neat (no solvent)

Signals [cm-1]

1411.42

Brim, W. W.; Hoffman, J. M.; Nielsen, H. H.; Rao, K. N.; Journal of the Optical Society of America; vol. 50; (1960); p. 1208 - 1213, View in Reaxys; Chen, I. S.; Bell, E. E.; Physical Review; vol. 75; (1949); p. 1113, View in Reaxys; vol. C: MVol.D1; 15.5.20, page 178 - 185 ; (from Gmelin), View in Reaxys 132 of 184 Description (IR Spectroscopy) Comment (IR Spectroscopy)

Fine structure of IR bands bei 24700 A und 15345 A.

Rank et al.; Journal of the Optical Society of America; vol. 47; (1957); p. 148, View in Reaxys 133 of 184 Description (IR Spectroscopy) Comment (IR Spectroscopy)

Fine structure of IR bands bei 6520 cmE-1.

Rank et al.; Journal of the Optical Society of America; vol. 47; (1957); p. 148, View in Reaxys 134 of 184 Description (IR Spectroscopy) Comment (IR Spectroscopy)

Fine structure of IR bands bei 1.53 μ bei Drucken von 40 - 200 Torr.

Pigott; Rank; Journal of Chemical Physics; vol. 26; (1957); p. 384, View in Reaxys 135 of 184 Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

neat (no solvent)

Signals [cm-1]

6519.61

Rank, D. H.; Guenther, A. H.; Shearer, J. N.; Wiggins, T. A.; Journal of the Optical Society of America; vol. 47; (1957); p. 148 - 150, View in Reaxys; vol. C: MVol.D1; 15.5.20, page 178 - 185 ; (from Gmelin), View in Reaxys 136 of 184 Description (IR Spectroscopy) Comment (IR Spectroscopy)

Bands eines Praeparats in Stickstoff-Matrix bei 20 K.

Becker; Pimentel; Journal of Chemical Physics; vol. 25; (1956); p. 224,226, View in Reaxys 137 of 184 Description (IR Spectroscopy) Comment (IR Spectroscopy)

Fine structure of IR bands im Bereich von 8000 - 1900 cmE-1.

Allen et al.; Journal of Chemical Physics; vol. 25; (1956); p. 302,303,306, View in Reaxys 138 of 184 Description (IR Spectroscopy) Comment (IR Spectroscopy)

Fine structure of IR bands bei 2880-2722 cmE-1, 2659-2537 cmE-1 und 2189-2110 cmE-1.

Dagg; Thompson; Transactions of the Faraday Society; vol. 52; (1956); p. 455, View in Reaxys 139 of 184 Description (IR Spectroscopy) Comment (IR Spectroscopy)

Fine structure of IR bands im Bereich von 18377-712 cmE-1.

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Hanson; Nielsen; Journal of Chemical Physics; vol. 25; (1956); p. 591, View in Reaxys; Douglas; Sharma; Journal of Chemical Physics; vol. 21; (1953); p. 448,450, View in Reaxys 140 of 184 Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

neat (no solvent)

Comment (IR Spectroscopy)

1900 cm**-1 - 8000 cm**-1

Allen et al.; Journal of Chemical Physics; vol. 25; (1956); p. 302,303,306, View in Reaxys; vol. C: MVol.D1; 15.5.20, page 178 - 185 ; (from Gmelin), View in Reaxys 141 of 184 Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

not given

Comment (IR Spectroscopy)

2096.68 cm**-1 - 3311.4 cm**-1

Allen et al.; Journal of Chemical Physics; vol. 25; (1956); p. 302,303,306, View in Reaxys; vol. C: MVol.D1; 15.5.9, page 170 - 175 ; (from Gmelin), View in Reaxys 142 of 184 Description (IR Spectroscopy) Comment (IR Spectroscopy)

Fine structure of IR bands bei 6500 cmE-1.

Wiggins et al.; Journal of Chemical Physics; vol. 22; (1954); p. 547,548, View in Reaxys 143 of 184 Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

neat (no solvent)

Comment (IR Spectroscopy)

4000 cm**-1 - 20000 cm**-1

Douglas, A. E.; Sharma, D.; Journal of Chemical Physics; vol. 21; (1953); p. 448 - 458, View in Reaxys; vol. C: MVol.D1; 15.5.20, page 178 - 185 ; (from Gmelin), View in Reaxys 144 of 184 Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

neat (no solvent)

Signals [cm-1]

9627.02

Douglas, A. E.; Sharma, D.; Journal of Chemical Physics; vol. 21; (1953); p. 448 - 458, View in Reaxys; vol. C: MVol.D1; 15.5.20, page 178 - 185 ; (from Gmelin), View in Reaxys 145 of 184 Description (IR Spectroscopy) Comment (IR Spectroscopy)

Spectrum 3333 - 769 cm**(-1); bei -180grad.

Hoffman; Hornig; Journal of Chemical Physics; vol. 17; (1949); p. 1163, View in Reaxys 146 of 184 Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

solid

Comment (IR Spectroscopy)

828 cm**-1 - 3132 cm**-1

Anderson, P. W.; Physical Review; vol. 76; (1949); p. 647 - 661 ; (from Gmelin), View in Reaxys 147 of 184 Description (IR Spectroscopy)

Spectrum

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Comment (IR Spectroscopy)

Einfluss des Drucks auf die Linienverbreiterung des Spektrums.

Kortuem; Verleger; Naturwissenschaften; vol. 31; (1943); p. 44; Chem.Abstr.; (1943); p. 3667, View in Reaxys; Foley; Physical Review; vol. <2> 61; (1942); p. 545, View in Reaxys; Cornell; Physical Review; vol. <2> 51; (1937); p. 595,739, View in Reaxys; Herzberg; Spinks; Watson; Physical Review; vol. <2> 50; (1936); p. 1186, View in Reaxys; Cornell; Watson; Physical Review; vol. <2> 50; (1936); p. 279,397, View in Reaxys; Herzberg; Spinks; Proceedings of the Royal Society of London, Series A: Mathematical, Physical and Engineering Sciences; vol. 147; p. 438, View in Reaxys 148 of 184 Description (IR Spectroscopy)

Spectrum

Solvent (IR Spectroscopy)

H2S

Comment (IR Spectroscopy)

Einfluss des Drucks auf die Linienverbreiterung des Spektrums.

Kortuem; Verleger; Naturwissenschaften; vol. 31; (1943); p. 44; Chem.Abstr.; (1943); p. 3667, View in Reaxys 149 of 184 Description (IR Spectroscopy)

Spectrum

Solvent (IR Spectroscopy)

SO2

Comment (IR Spectroscopy)

Einfluss des Drucks auf die Linienverbreiterung des Spektrums.

Kortuem; Verleger; Naturwissenschaften; vol. 31; (1943); p. 44; Chem.Abstr.; (1943); p. 3667, View in Reaxys 150 of 184 Description (IR Spectroscopy)

Spectrum

Solvent (IR Spectroscopy)

chloroethane

Comment (IR Spectroscopy)

Einfluss des Drucks auf die Linienverbreiterung des Spektrums.

Kortuem; Verleger; Naturwissenschaften; vol. 31; (1943); p. 44; Chem.Abstr.; (1943); p. 3667, View in Reaxys 151 of 184 Description (IR Spectroscopy)

Spectrum

Solvent (IR Spectroscopy)

dimethyl ether

Comment (IR Spectroscopy)

Einfluss des Drucks auf die Linienverbreiterung des Spektrums.

Kortuem; Verleger; Naturwissenschaften; vol. 31; (1943); p. 44; Chem.Abstr.; (1943); p. 3667, View in Reaxys 152 of 184 Description (IR Spectroscopy)

Spectrum

Solvent (IR Spectroscopy)

neat (no solvent)

Comment (IR Spectroscopy)

1695 - 952 cm**(-1)

Lindholm; Zeitschrift fuer Physik; vol. 109; (1938); p. 223, View in Reaxys; Lindholm; Zeitschrift fuer Physik; vol. 108; p. 455, View in Reaxys 153 of 184 Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

CHBr3

Comment (IR Spectroscopy)

569.1 cm**-1 - 3311.4 cm**-1

Cornell, S. D.; Watson, W. W.; Physical Review; vol. 50; (1936); p. 279 - 281, View in Reaxys; Cornell, S. D.; Physical Review; vol. 51; (1937); p. 739 - 744, View in Reaxys; Herzberg, G.; Spinks, J. W. T.; Watson, W. W.; Physical Review; vol. 50; (1936); p. 1186 ; (from Gmelin), View in Reaxys

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154 of 184 Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

CCl4

Comment (IR Spectroscopy)

569.1 cm**-1 - 3311.4 cm**-1

Cornell, S. D.; Physical Review; vol. 51; (1937); p. 739 - 744 ; (from Gmelin), View in Reaxys 155 of 184 Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

benzene

Comment (IR Spectroscopy)

569.1 cm**-1 - 3311.4 cm**-1

Bands

Solvent (IR Spectroscopy)

CHCl3

Comment (IR Spectroscopy)

569.1 cm**-1 - 3311.4 cm**-1

Cornell, S. D.; Physical Review; vol. 51; (1937); p. 739 - 744 ; (from Gmelin), View in Reaxys 157 of 184 Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

gaseous matrix

Comment (IR Spectroscopy)

569.1 cm**-1 - 3311.4 cm**-1

Cornell, S. D.; Physical Review; vol. 51; (1937); p. 739 - 744, View in Reaxys; vol. C: MVol.D1; 15.5.20, page 178 185 ; (from Gmelin), View in Reaxys 158 of 184 Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

further solvent(s)

Comment (IR Spectroscopy)

569.1 cm**-1 - 3311.4 cm**-1

Spectrum

Solvent (IR Spectroscopy)

H2O

Comment (IR Spectroscopy)

2326 - 1887 cm**(-1)

Gordy; Williams; Journal of Chemical Physics; vol. 4; (1936); p. 86, View in Reaxys; Herzberg; Journal of Chemical Physics; vol. 4; (1936); p. 87, View in Reaxys 160 of 184 Description (IR Spectroscopy) Solvent (IR Spectroscopy)

Bands cyclohexane

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Comment (IR Spectroscopy)

569.1 cm**-1 - 3311.4 cm**-1

Cornell, S. D.; Watson, W. W.; Physical Review; vol. 50; (1936); p. 279 - 281, View in Reaxys; Herzberg, G.; Spinks, J. W. T.; Watson, W. W.; Physical Review; vol. 50; (1936); p. 1186 ; (from Gmelin), View in Reaxys 161 of 184 Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

nitromethane

Comment (IR Spectroscopy)

569.1 cm**-1 - 3311.4 cm**-1

Bands

Solvent (IR Spectroscopy)

acetonitrile

Comment (IR Spectroscopy)

569.1 cm**-1 - 3311.4 cm**-1

Spectrum

Solvent (IR Spectroscopy)

H2O

Comment (IR Spectroscopy)

8333 - 1333 cm**(-1)

Gordy; Williams; Journal of Chemical Physics; vol. 3; (1935); p. 666; Journal of Chemical Physics; vol. 4; (1936); p. 86, View in Reaxys 164 of 184 Description (IR Spectroscopy)

Spectrum

Solvent (IR Spectroscopy)

neat (no solvent)

Comment (IR Spectroscopy)

1316 - 870 cm**(-1)

Scheib; Hedfeld; Zeitschrift fuer Physik; vol. 93; (1935); p. 428, View in Reaxys; Scheib; Hedfeld; Zeitschrift fuer Physik; vol. 91; (1934); p. 792, View in Reaxys 165 of 184 Description (IR Spectroscopy)

Spectrum

Solvent (IR Spectroscopy)

neat (no solvent)

Comment (IR Spectroscopy)

10000 - 5000 cm**(-1)

Herzberg; Spinks; Proceedings of the Royal Society of London, Series A: Mathematical, Physical and Engineering Sciences; vol. 147; (1934); p. 435, View in Reaxys 166 of 184 Description (IR Spectroscopy) Comment (IR Spectroscopy)

Spectrum Zuordnung der Frequenzen.

Adel; Barker; Physical Review; vol. <2> 45; (1934); p. 277, View in Reaxys; Herzberg,G.; Molecular Spectra and Molecular Structure, Bd. 2 <New York 1945> S. 174, 279, View in Reaxys; Mecke; Landolt-Boernstein, Bd. 1 Teil 2 <1951> S. 332, View in Reaxys; Mecke; Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie; vol. 16; (1932); p. 432,433; Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie; vol. 17; (1932); p. 13, View in Reaxys

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167 of 184 Description (IR Spectroscopy)

Spectrum

Solvent (IR Spectroscopy)

neat (no solvent)

Comment (IR Spectroscopy)

3333 - 667 cm**(-1)

Choi; Barker; Physical Review; vol. <2> 42; (1932); p. 777, View in Reaxys 168 of 184 Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

not given

Signals [cm-1]

713.74

Choi, K. N.; Barker, E. F.; Physical Review; vol. 42; (1932); p. 777 - 785, View in Reaxys; vol. C: MVol.D1; 15.5.9, page 170 - 175 ; (from Gmelin), View in Reaxys 169 of 184 Description (IR Spectroscopy)

Spectrum

Solvent (IR Spectroscopy)

neat (no solvent)

Comment (IR Spectroscopy)

1429 - 1087 cm**(-1)

Badger; Binder; Physical Review; vol. <2> 37; (1931); p. 800, View in Reaxys 170 of 184 Description (IR Spectroscopy)

Spectrum

Solvent (IR Spectroscopy)

neat (no solvent)

Comment (IR Spectroscopy)

12500 - 11111 cm**(-1)

Brackett; Liddel; Physical Review; vol. <2> 38; (1931); p. 582, View in Reaxys 171 of 184 Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

neat (no solvent)

Comment (IR Spectroscopy)

700 cm**-1 - 15550 cm**-1

vol. C: MVol.D1; 15.5.20, page 178 - 185, View in Reaxys; Herzberg, G.; Molecular Spectra and Molecular Structure II. Infrared and Raman Spectra of Polyatomic Molecules, Toronto - New York - London 1945,S. 279 ; (from Gmelin), View in Reaxys 172 of 184 Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

neat (no solvent, solid phase)

Comment (IR Spectroscopy)

105 cm**-1 - 224 cm**-1

vol. C: MVol.D1; 15.5.20, page 178 - 185 ; (from Gmelin), View in Reaxys 173 of 184 Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

neat (no solvent, solid phase)

Signals [cm-1]

3130

vol. C: MVol.D1; 15.5.20, page 178 - 185 ; (from Gmelin), View in Reaxys

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174 of 184 Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

neat (no solvent, solid phase)

Comment (IR Spectroscopy)

828 cm**-1 - 3132 cm**-1

vol. C: MVol.D1; 15.5.20, page 178 - 185 ; (from Gmelin), View in Reaxys 175 of 184 Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

neat (no solvent, solid phase)

Signals [cm-1]

838

vol. C: MVol.D1; 15.5.20, page 178 - 185 ; (from Gmelin), View in Reaxys 176 of 184 Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

Bromoform

Comment (IR Spectroscopy)

569.1 cm**-1 - 3311.4 cm**-1

vol. C: MVol.D1; 15.5.20, page 178 - 185 ; (from Gmelin), View in Reaxys 177 of 184 Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

tetrachloromethane

Comment (IR Spectroscopy)

569.1 cm**-1 - 3311.4 cm**-1

vol. C: MVol.D1; 15.5.20, page 178 - 185 ; (from Gmelin), View in Reaxys 178 of 184 Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

cyclohexane

Comment (IR Spectroscopy)

569.1 cm**-1 - 3311.4 cm**-1

vol. C: MVol.D1; 15.5.20, page 178 - 185 ; (from Gmelin), View in Reaxys 179 of 184 Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

benzene

Comment (IR Spectroscopy)

569.1 cm**-1 - 3311.4 cm**-1

vol. C: MVol.D1; 15.5.20, page 178 - 185 ; (from Gmelin), View in Reaxys 180 of 184 Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

nitromethane

Comment (IR Spectroscopy)

569.1 cm**-1 - 3311.4 cm**-1

vol. C: MVol.D1; 15.5.20, page 178 - 185 ; (from Gmelin), View in Reaxys 181 of 184 Description (IR Spectroscopy)

Bands

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Solvent (IR Spectroscopy)

acetonitrile

Comment (IR Spectroscopy)

569.1 cm**-1 - 3311.4 cm**-1

vol. C: MVol.D1; 15.5.20, page 178 - 185 ; (from Gmelin), View in Reaxys 182 of 184 Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

chloroform

Comment (IR Spectroscopy)

569.1 cm**-1 - 3311.4 cm**-1

vol. C: MVol.D1; 15.5.20, page 178 - 185 ; (from Gmelin), View in Reaxys 183 of 184 Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

not given

Comment (IR Spectroscopy)

712 cm**-1 - 3312 cm**-1

vol. C: MVol.D1; 15.5.9, page 170 - 175, View in Reaxys; Herzberg, G.; Molecular Spectra and Molecular Structure II. Infrared and Raman Spectra of Polyatomic Molecules, Toronto - New York - London 1945,S. 174 ; (from Gmelin), View in Reaxys 184 of 184 Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

not given

Comment (IR Spectroscopy)

869 cm**-1 - 2273 cm**-1

vol. C: MVol.D1; 15.5.9, page 170 - 175, View in Reaxys; Herzberg, G.; Molecular Spectra and Molecular Structure III. Electronic Spectra and Electronic Structure of Polyatomic Molecules, Princeton - Toronto - New York - London 1966, S. 588 ; (from Gmelin), View in Reaxys Mass Spectrometry (15) Description (Mass Location Spectrometry)

Comment (Mass Spectrometry)

spectrum

electron impact (EI); spectrum

References Hoffmann, Rudolf C.; Schneider, Jörg J.; European Journal of Inorganic Chemistry; vol. 2015; nb. 25; (2015); p. 4254 - 4259, View in Reaxys; Maetz, Amandine; Delmotte, Luc; Moussa, Georges; Dentzer, Joseph; Knopf, Stephan; Ghimbeu, Camelia Matei; Green Chemistry; vol. 19; nb. 9; (2017); p. 2266 - 2274, View in Reaxys

supporting information

Savateev, Aleksandr; Pronkin, Sergey; Epping, Jan Dirk; Willinger, Marc Georg; Antonietti, Markus; Dontsova, Dariya; Journal of Materials Chemistry A; vol. 5; nb. 18; (2017); p. 8394 - 8401, View in Reaxys

APCI (atmospheric pressure chemical ionization); spectrum

Seto, Yasuo; Sekiguchi, Hiroshi; Maruko, Hisashi; Yamashiro, Shigeharu; Sano, Yasuhiro; Takayama, Yasuo; Sekioka, Ryoji; Yamaguchi, Shintaro; Kishi, Shintaro; Satoh, Takafumi; Sekiguchi, Hiroyuki; Iura, Kazumitsu; Nagashima, Hisayuki; Nagoya, Tomoki; Tsuge, Kouichiro; Ohsawa, Isaac; Okumura, Akihiko; Takada, Yasuaki; Ezawa, Naoya; Watanabe, Susumu; Hashimoto, Hiroaki; Analytical Chemistry; vol. 86; nb. 9; (2014); p. 4316 - 4326, View in Reaxys

GCMS (Gas chromatography mass spectrometry); EI (Electron impact); Spectrum

Bozi, Janos; Blazso, Marianne; Green Chemistry; vol. 11; nb. 10; (2009); p. 1638 - 1645, View in Reaxys

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Spectrum

Molecular peak

Lewis, William K.; Lindsay, C. Michael; Bemish, Raymond J.; Miller, Roger E.; Journal of the American Chemical Society; vol. 127; nb. 19; (2005); p. 7235 - 7242, View in Reaxys; Carlsen, Lars; Egsgaard, Helge; Journal of Chemical Research, Synopses; (1988); p. 118 - 119 ; (from Gmelin), View in Reaxys

Molecular peak; Fragmentation pattern

Lewis, William K.; Bemish, Raymond J.; Miller, Roger E.; Journal of Chemical Physics; vol. 123; nb. 14; (2005); Art.No: 141103, View in Reaxys; Inoue, M.; Cottin, M.; Advan. Mass. Spectrometry; vol. 3; (1966); p. 339 - 358, View in Reaxys; vol. C: MVol.D1; 15.11.3, page 206 - 209 ; (from Gmelin), View in Reaxys

Spectrum

Teichgraeber, Joerg; Dechert, Sebastian; Meyer, Franc; Journal of Organometallic Chemistry; vol. 690; nb. 23; (2005); p. 5255 - 5263, View in Reaxys; Burgers, Peter C.; Holmes, John L.; Mommers, Alexander A.; Terlouw, Johan K.; Chemical Physics Letters; vol. 102; (1983); p. 1 - 3 ; (from Gmelin), View in Reaxys Molecular peak

ion-cyclotron resonance

Kang, Dae-Hyuk; Trenary, Michael; Journal of Physical Chemistry B; vol. 106; nb. 22; (2002); p. 5710 - 5718 ; (from Gmelin), View in Reaxys Huntress; Baldeschwieler; Nature (London, United Kingdom); vol. 223; (1969); p. 468, View in Reaxys; Vogt; Beauchamp; Journal of the American Chemical Society; vol. 97; (1975); p. 6682, View in Reaxys A.P.I.; Res. Project 44 Nr. 233 <1948>, View in Reaxys; A.P.I.; Res. Project 44 Nr. 94 <1948>, View in Reaxys; Moran; Hamill; Journal of Chemical Physics; vol. 39; (1963); p. 1413,1414, View in Reaxys; Inoue; Journal de Chimie Physique et de Physico-Chimie Biologique; vol. 63; (1966); p. 1061, View in Reaxys; Huntress; Baldeschwieler; Nature (London, United Kingdom); vol. 223; (1969); p. 468, View in Reaxys; Reid; International Journal of Mass Spectrometry and Ion Physics; vol. 6; (1971); p. 1,19, View in Reaxys; Lageot; Journal de Chimie Physique et de Physico-Chimie Biologique; vol. 68; (1971); p. 214, View in Reaxys

fragmentation pattern

durch Elektronen- Stevenson; Journal of Chemical Physics; vol. 18; (1950); p. stoss 1347,1348, 1350, View in Reaxys

appearance potentials

des CN+-Ions.

appearance potentials

(massenspektros- Kusch; Hustrulid; Tate; Physical Review; vol. <2> 52; (1937); p. kopisch bes844, View in Reaxys timmt): 13.7 +0.1 V (HCN+), 20.1 +- 0.2 V (CN +), 24.9 +- 0.5 V (NH+), 25.6 +0.5V (N+), 21.8 +- 0.5V (CH+), 23.8 +-0.5V (C+), 40.0 +- 1.0 V (HCN++).

appearance potentials

Wss. Loesungen Barron; Flexner; Michaelis; Journal of Biological Chemistry; vol. von Cyaniden zei- 81; (1929); p. 744, View in Reaxys gen gegen Quecksilber ein negatives Potential.

appearance potentials

Abfall und allmaehliche Wiederherstellung des Potentials von Wasserstoffund Sauerstoffelektroden bei Gegenwart von KCN in der Loesung.

Stevenson; Journal of Chemical Physics; vol. 18; (1950); p. 1347,1348, 1350, View in Reaxys

Isgaryschew; Koldajewa; Zhurnal Russkago Fiziko-Khimicheskago Obshchestva; vol. 55; (1924); p. 554; Chem. Zentralbl.; vol. 96; nb. II; (1925); p. 795, View in Reaxys

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UV/VIS Spectroscopy (16) 1 of 16

Description (UV/VIS Spectroscopy)

Band assignment; Spectrum

Solvent (UV/VIS Spectroscopy)

acetonitrile

Koyama, Daisuke; Coulter, Philip; Grubb, Michael P.; Greetham, Gregory M.; Clark, Ian P.; Orr-Ewing, Andrew J.; Journal of Physical Chemistry A; vol. 119; nb. 52; (2015); p. 12924 - 12934, View in Reaxys 2 of 16

Description (UV/VIS Spectroscopy)

Spectrum; Band assignment

Solvent (UV/VIS Spectroscopy)

H2O

Comment (UV/VIS Spectroscopy)

200 nm - 280 nm

Fujiwara, Naozumi; Liu, Yueh-Ling; Takahashi, Masao; Kobayashi, Hikaru; Journal of the Electrochemical Society; vol. 153; nb. 5; (2006); p. G394-G398 ; (from Gmelin), View in Reaxys 3 of 16

Description (UV/VIS Spectroscopy)

Spectrum; Band assignment

Solvent (UV/VIS Spectroscopy)

water

Comment (UV/VIS Spectroscopy)

190 nm - 300 nm

Takahashi, Masao; Liu, Yueh-Ling; Fujiwara, Naozumi; Iwasa, Hitoo; Kobayashi, Hikaru; Solid State Communications; vol. 137; nb. 5; (2006); p. 263 - 267 ; (from Gmelin), View in Reaxys 4 of 16

Description (UV/VIS Spectroscopy)

Spectrum; Band assignment

Solvent (UV/VIS Spectroscopy)

neat (no solvent)

Comment (UV/VIS Spectroscopy)

17220 cm**-1 - 17440 cm**-1

Martinez; Lehmann, Kevin K; Carter, Stuart; The Journal of chemical physics; vol. 120; nb. 2; (2004); p. 691 703 ; (from Gmelin), View in Reaxys 5 of 16

Description (UV/VIS Spectroscopy)

Spectrum

Solvent (UV/VIS Spectroscopy)

neat (no solvent)

Comment (UV/VIS Spectroscopy)

17120 cm**-1 - 17240 cm**-1

Martinez; Lehmann, Kevin K; Carter, Stuart; The Journal of chemical physics; vol. 120; nb. 2; (2004); p. 691 703 ; (from Gmelin), View in Reaxys 6 of 16

Description (UV/VIS Spectroscopy)

Spectrum

Solvent (UV/VIS Spectroscopy)

neat (no solvent)

Comment (UV/VIS Spectroscopy)

16880 cm**-1 - 16980 cm**-1

Martinez; Lehmann, Kevin K; Carter, Stuart; The Journal of chemical physics; vol. 120; nb. 2; (2004); p. 691 703 ; (from Gmelin), View in Reaxys 7 of 16

Description (UV/VIS Spectroscopy)

Spectrum

Solvent (UV/VIS Spectroscopy)

neat (no solvent)

Comment (UV/VIS Spectroscopy)

20345 cm**-1 - 20375 cm**-1

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Romanini, Daniele; Lehmann, Kevin K.; Journal of Chemical Physics; vol. 105; nb. 1; (1996); p. 81 - 88 ; (from Gmelin), View in Reaxys 8 of 16

Description (UV/VIS Spectroscopy)

Spectrum

Solvent (UV/VIS Spectroscopy)

neat (no solvent)

Comment (UV/VIS Spectroscopy)

25000 cm**-1 - 50000 cm**-1

Kuzina; Mozhaev; Kiryukhin; Mikhailov; Barkalov; Russian Chemical Bulletin; vol. 45; nb. 4; (1996); p. 814 818 ; (from Gmelin), View in Reaxys 9 of 16

Description (UV/VIS Spectroscopy)

Spectrum; Band assignment

Comment (UV/VIS Spectroscopy)

644.579 nm - 646.057 nm

Smith, Alice M.; Lehmann, Kevin K.; Klemperer, William; Journal of Chemical Physics; vol. 85; nb. 9; (1986); p. 4958 - 4965 ; (from Gmelin), View in Reaxys 10 of 16

Description (UV/VIS Spectroscopy)

Spectrum

Price; Walsh; Transactions of the Faraday Society; vol. 41; (1945); p. 386, View in Reaxys; Villars; Journal of the American Chemical Society; vol. 52; (1930); p. 64, View in Reaxys; Hilgendorff; Zeitschrift fuer Physik; vol. 95; (1935); p. 784, View in Reaxys; Price; Physical Review; vol. <2> 46; (1934); p. 529, View in Reaxys; Kiess; Broida; Journal of Molecular Spectroscopy; vol. 7; (1961); p. 194, View in Reaxys; Kumeskii; Kushnirenko; Bulletin of the Academy of Sciences of the USSR, Physical Series (English Translation); vol. 34; (1970); p. 474; ; p. 547, View in Reaxys; Belyi et al.; Bulletin of the Academy of Sciences of the USSR, Physical Series (English Translation); vol. 37; nb. 3; (1973); p. 126; ; p. 603, View in Reaxys; Persson; Ekstroem; Acta Chemica Scandinavica, Series A: Physical and Inorganic Chemistry; vol. 30; (1976); p. 31,39, View in Reaxys; Libus; Roczniki Chemii; vol. 36; (1962); p. 999; Chem.Abstr.; vol. 58; nb. 3084g, View in Reaxys; Zahradnik; Carsky; Collection of Czechoslovak Chemical Communications; vol. 38; (1973); p. 1876,1881, View in Reaxys; Macpherson; Simons; Journal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics; vol. 74; (1978); p. 1965,1967,1968,1971,1973, View in Reaxys; Baronarski et al.; Chemical Physics Letters; vol. 61; (1979); p. 532, View in Reaxys; Herzberg; Discussions of the Faraday Society; vol. 35; (1963); p. 7,16, View in Reaxys 11 of 16

Description (UV/VIS Spectroscopy)

UV/VIS

Nogami,T. et al.; Bulletin of the Chemical Society of Japan; vol. 48; (1975); p. 3709 - 3714, View in Reaxys; Moore; Robinson; Journal of Chemical Physics; vol. 48; (1968); p. 4870,4873, View in Reaxys; Kurabayashi, M.; Yanagiya, K.; Yasumoto, M.; Kamakura, T.; Kogyo Kagaku Zasshi; vol. 70; (1967); p. 1106 - 1111, View in Reaxys; Kurabayashi, M.; Yanagiya, K.; Yasumoto, M.; Kamakura, T.; Tokyo Kogyo Shikensho Hokoku; vol. 64; (1969); p. 57 - 67, View in Reaxys; vol. C: MVol.D1; 18.3, page 252 - 255 ; (from Gmelin), View in Reaxys 12 of 16

Description (UV/VIS Spectroscopy)

Absorption maxima

Description (UV/VIS Spectroscopy)

Spectrum

Comment (UV/VIS Spectroscopy)

160 - 200 nm; Feinstruktur von UV-Absorptionsbanden.

Herzberg; Innes; Canad. J. Physics; vol. 35; (1957); p. 842,845, 852-856, View in Reaxys 14 of 16

Comment (UV/VIS Spectroscopy)

150 nm - 200 nm

Herzberg, G.; Innes, K. K.; Canadian Journal of Physics; vol. 35; (1957); p. 842 - 879, View in Reaxys; Hilgendorff, H. J.; Zeitschrift fuer Physik; vol. 95; (1935); p. 781 - 788, View in Reaxys; vol. C: MVol.D1; 15.5.20, page 178 - 185, View in Reaxys; Herzberg, G.; Molecular Spectra and Molecular Structure III. Electronic Spectra and Electronic Structure of Polyatomic Molecules, Princeton - Toronto - New York - London 1966, S. 493/5 ; (from Gmelin), View in Reaxys 15 of 16

Absorption Maxima (UV/ 112 VIS) [nm]

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Price; Walsh; Transactions of the Faraday Society; vol. 41; p. 381; Chem.Abstr.; (1945); p. 5175, View in Reaxys; vol. C: MVol.D1; 15.5.20, page 178 - 185, View in Reaxys; Herzberg, G.; Molecular Spectra and Molecular Structure III. Electronic Spectra and Electronic Structure of Polyatomic Molecules, Princeton - Toronto - New York - London 1966, S. 495 ; (from Gmelin), View in Reaxys 16 of 16

Comment (UV/VIS Spectroscopy)

135 nm - 155 nm

Price; Walsh; Transactions of the Faraday Society; vol. 41; p. 381; Chem.Abstr.; (1945); p. 5175, View in Reaxys; Price, W. C.; Physical Review; vol. 46; (1934); p. 529, View in Reaxys; vol. C: MVol.D1; 15.5.20, page 178 - 185, View in Reaxys; Herzberg, G.; Molecular Spectra and Molecular Structure III. Electronic Spectra and Electronic Structure of Polyatomic Molecules, Princeton - Toronto - New York - London 1966, S. 495 ; (from Gmelin), View in Reaxys ESR Spectroscopy (3) 1 of 3

Description (ESR Spectroscopy)

ESR

Paemel et al.; Journal of Physical Chemistry; vol. 79; (1975); p. 839,843, View in Reaxys; Cochran et al.; Bulletin of the American Physical Society; vol. 13; nb. 2; (1968); p. 357, View in Reaxys; Banks; Gordy; Molecular Physics; vol. 26; (1973); p. 1555, View in Reaxys; Catton et al.; Journal of the Chemical Society [Section] A: Inorganic, Physical, Theoretical; (1969); p. 2622,2623,2626, View in Reaxys 2 of 3

Description (ESR Spectroscopy)

g-factor

Gustafson; Gordy; Journal of Chemical Physics; vol. 58; (1973); p. 5181, View in Reaxys 3 of 3

Description (ESR Spectroscopy)

Spectrum

Cochran et al.; Journal of Chemical Physics; vol. 36; (1962); p. 1938, View in Reaxys NQR Spectroscopy (6) Description (NQR Nucleus (NQR Spectroscopy) Spectroscopy)

Comment (NQR Spectroscopy)

References

Nuclear quadrupole coupling constants

Kern; Karplus; Journal of Chemical Physics; vol. 42; (1965); p. 1062, View in Reaxys; White; Drago; Journal of Chemical Physics; vol. 52; (1970); p. 4717, View in Reaxys; De Lucia; Gordy; Bulletin of the American Physical Society; vol. 14; (1969); p. 620, View in Reaxys; Pearson et al.; Zeitschrift fuer Naturforschung, Teil A: Astrophysik, Physik und Physikalische Chemie; vol. 31; (1976); p. 1394, View in Reaxys; White; Drago; Journal of Chemical Physics; vol. 55; (1971); p. 2611, View in Reaxys; Olympia; Journal of Chemical Physics; vol. 55; (1971); p. 2609, View in Reaxys

Nuclear quadrupole resonance

Tyler; Sheridan; Transactions of the Faraday Society; vol. 59; (1963); p. 2661,2665, View in Reaxys; Bonaccori et al.; Journal of Chemical Physics; vol. 50; (1969); p. 2940,2942, View in Reaxys; SCHULTZ HD; Applied Spectroscopy; vol. 25; nb. 3; (1971); p. 293 303, View in Reaxys; O'Reilly; Journal of Chemical Physics; vol. 58; (1973); p. 3023, View in Reaxys

Nuclear quadrupole coupling constants

14N

White; Journal of Chemical Physics; vol. 23; (1955); p. 253, View in Reaxys; Simmons et al.; Physical Review; vol. <2>77; (1950); p. 77; Physical Review; vol. <2>86; (1952); p. 1055, View in Reaxys; Yarmus; Physical Review; vol. <2> 104; (1956); p. 365, View in Reaxys; Dailey; Journal of Physical Chemistry; vol. 57; (1953); p. 490,495, View in Reaxys; Nagita et al.; Journal of Chemical Physics; vol. 32; (1960); p. 314, View in Reaxys; DeLucia; Gordy; Physical Review; vol. 187; nb. 2; (1969); p. 58, View in Reaxys; Bhattacharya, B. N.; Gordy, W.; Physical Review; vol. 119; (1960); p. 144 - 149, View in Reaxys; Simmons, J. W.; Anderson, W. E.; Gordy, W.; Physical Review; vol. 77; (1950); p. 77 - 79, View in Reaxys; vol. C: MVol.D1; 15.4.26, page 162 - 167 ; (from Gmelin), View in Reaxys

Nuclear quadrupole coupling constants

White; Journal of Chemical Physics; vol. 23; (1955); p. 253, View in Reaxys; Bhattacharya, B. N.; Gordy, W.; Physical Review; vol. 119; (1960); p. 144 - 149, View in Reaxys; Simmons, J. W.; Anderson, W. E.; Gordy, W.; Physical Review; vol. 77; (1950); p. 77 79, View in Reaxys; vol. C: MVol.D1; 15.4.26, page 162 - 167 ; (from Gmelin), View in Reaxys

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14N

Nuclear quadrupole coupling constants

Nuclear quadrupole resonance

not given

Nagita et al.; Journal of Chemical Physics; vol. 32; (1960); p. 314, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193 ; (from Gmelin), View in Reaxys Yarmus; Physical Review; vol. <2> 104; (1956); p. 365, View in Reaxys; White, R. L.; Journal of Chemical Physics; vol. 23; (1955); p. 249 - 252, View in Reaxys; vol. C: MVol.D1; 15.4.26, page 162 - 167 ; (from Gmelin), View in Reaxys

Rotational Spectroscopy (14) Description (Rota- Comment (Rota- References tional Spectrosco- tional Spectroscopy) py) Microwave spectrum

Dagg; Thompson; Transactions of the Faraday Society; vol. 52; (1956); p. 455, View in Reaxys; Allen et al.; Journal of Chemical Physics; vol. 25; (1956); p. 302,303,306, View in Reaxys; Yarmus; Physical Review; vol. <2> 104; (1956); p. 365, View in Reaxys; Rank et al.; Journal of Molecular Spectroscopy; vol. 4; (1960); p. 518, View in Reaxys; Maki; Blaine; Journal of Molecular Spectroscopy; vol. 12; (1964); p. 45, View in Reaxys; Toerring; Zeitschrift fuer Physik; vol. 161; nb. 2; (1961); p. 179 - 189, View in Reaxys; DeLucia; Gordy; Physical Review; vol. 187; nb. 2; (1969); p. 58, View in Reaxys; Nerf; Journal of Molecular Spectroscopy; vol. 58; (1975); p. 479, View in Reaxys; De Lucia; Helminger; Journal of Chemical Physics; vol. 67; (1977); p. 4262, View in Reaxys; Huettner; Morgestern; Zeitschrift fuer Naturforschung, Teil A: Astrophysik, Physik und Physikalische Chemie; vol. 25; (1970); p. 547,554,555, View in Reaxys; Blackman et al.; Chemical Physics Letters; vol. 34; (1975); p. 241, View in Reaxys; Pearson et al.; Zeitschrift fuer Naturforschung, Teil A: Astrophysik, Physik und Physikalische Chemie; vol. 31; (1976); p. 1394, View in Reaxys; Winnewisser et al.; Journal of Molecular Spectroscopy; vol. 39; (1971); p. 149,151, 157, View in Reaxys; Charro'n, Melissa,; Anderson, Thomas G.; Steinfeld, J. I.; Journal of Chemical Physics; vol. 73; nb. 4; (1980); p. 1494 - 1497, View in Reaxys; Conjusteau; Callegari; Reinhard; Lehmann; Scoles; Journal of Chemical Physics; vol. 113; nb. 12; (2000); p. 4840 - 4843, View in Reaxys; Anderson, P. W.; Physical Review; vol. 76; (1949); p. 647 - 661, View in Reaxys; Bhattacharya, B. N.; Gordy, W.; Physical Review; vol. 119; (1960); p. 144 - 149, View in Reaxys; Braslawsky; Ben-Aryeh; Journal of Molecular Spectroscopy; vol. 30; nb. 1-3; (1969); p. 116 - 122, View in Reaxys; Brim, W. W.; Hoffman, J. M.; Nielsen, H. H.; Rao, K. N.; Journal of the Optical Society of America; vol. 50; (1960); p. 1208 - 1213, View in Reaxys; Burrus, C. A.; Gordy, W.; Physical Review; vol. 101; (1956); p. 599 - 602, View in Reaxys; Chen, I. S.; Bell, E. E.; Physical Review; vol. 75; (1949); p. 1113, View in Reaxys; Choi, K. N.; Barker, E. F.; Physical Review; vol. 42; (1932); p. 777 - 785, View in Reaxys; Collier, R. J.; Physical Review; vol. 95; (1954); p. 1201 - 1202, View in Reaxys; Douglas, A. E.; Sharma, D.; Journal of Chemical Physics; vol. 21; (1953); p. 448 - 458, View in Reaxys; Genzel, Ludwig; Eckhardt, Wilfried; Zeitschrift fuer Physik; vol. 139; nb. 5; (1954); p. 592 - 598, View in Reaxys; Gordy, W.; Rev. Mod. Phys.; vol. 20; (1948); p. 668 - 717, View in Reaxys; Hyde, G. E.; Hornig, D. F.; Journal of Chemical Physics; vol. 20; (1952); p. 647 - 652, View in Reaxys; Jaffe, J. H.; Advan. Spectry.; vol. 2; (1961); p. 263 - 292, View in Reaxys; Janak, J.; Optika i Spektroskopiya; vol. 20; (1966); p. 80 - 84; Optika i Spektroskopiya; vol. 20; (1966); p. 154 - 162, View in Reaxys; Maki, A. G.; Lide, D. R.; Journal of Chemical Physics; vol. 47; (1967); p. 3206 - 3210, View in Reaxys; Maki, A. G.; Olson, W. B.; Sams, R. L.; J. Mol. Spectrosc.; vol. 36; (1970); p. 433 - 447, View in Reaxys; Maki, A. G.; Plyler, E. K.; Thibault, R.; Journal of the Optical Society of America; vol. 54; (1964); p. 869 - 876, View in Reaxys; Miyahara, Akira; Hirakawa, Hiromasa; Shimoda, Koichi; Journal of the Physical Society of Japan; vol. 11; nb. 3; (1956); p. 335 - 335, View in Reaxys; Mizushima, M.; Physical Review; vol. 83; (1951); p. 94 - 103, View in Reaxys; Nethercot, A. H.; Klein, J. A.; Townes, C. H.; Physical Review; vol. 86; (1952); p. 798 - 799, View in Reaxys; Pierson, R. H.; Fletcher, A. N.; Clair Ganz, E. St.; Analytical Chemistry; vol. 28; (1956); p. 1218 - 1239, View in Reaxys; Rank, D. H.; Guenther, A. H.; Shearer, J. N.; Wiggins, T. A.; Journal of the Optical Society of America; vol. 47; (1957); p. 148 - 150, View in Reaxys; Rank, D. H.; Shearer, J. N.; Wiggins, T. A.; Physical Review; vol. 94; (1954); p. 575 - 578, View in Reaxys; Rank, D. H.; Skorinko, G.; Eastman, D. P.; Wiggins, T. A.; Journal of the Optical Society of America; vol. 50; (1960); p. 421 - 432, View in Reaxys; Rank, D. H.; Rev. Mod. Phys.; vol. 34; (1962); p. 577 - 581, View in Reaxys; Rank, D. H.; Advan. Spectry.; vol. 1; (1959); p. 79 - 90, View in Reaxys; Rank, H. D.; J. Mol. Spectrosc.; vol. 17; (1965); p. 50 - 57, View in Reaxys; Simmons, J. W.; Anderson, W. E.; Gordy, A. W.; Physical Review; vol. 86; (1952); p. 1055 - 1056, View in Reaxys; Simmons, J. W.; Anderson, W. E.; Gordy, W.; Physical Review; vol. 77; (1950); p. 77 - 79, View in Reaxys; Smith, A. G.; Gordy, W.; Simmons, J. W.; Smith, W. V.; Physical Review; vol. 75; (1949); p. 260 263, View in Reaxys; Sverdlov, L. M.; Optika i Spektroskopiya; vol. 11; (1961); p. 18 20; Optika i Spektroskopiya; vol. 11; (1961); p. 35 - 40, View in Reaxys; Sverdlov, L. M.;

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Optika i Spektroskopiya; vol. 17; (1964); p. 515 - 516; Optika i Spektroskopiya; vol. 17; (1964); p. 947 - 949, View in Reaxys; Wiggins, T. A.; Shearer, J. N.; Shull, E. R.; Rank, D. H.; Journal of Chemical Physics; vol. 22; (1954); p. 547 - 550, View in Reaxys; Wijn, H. W. de; Physica; vol. 31; (1965); p. 1215 - 1223, View in Reaxys; Williams, T.; Journal of the Optical Society of America; vol. 50; (1960); p. 1159 - 1162, View in Reaxys; vol. C: MVol.D1; 15.5.16, page 175 - 178, View in Reaxys; vol. C: MVol.D1; 15.5.20, page 178 185, View in Reaxys; vol. C: MVol.D1; 15.5.8, page 167 - 170, View in Reaxys; Herzberg, G.; Molecular Spectra and Molecular Structure II. Infrared and Raman Spectra of Polyatomic Molecules, Toronto - New York - London 1945,S. 19, View in Reaxys; Herzberg, G.; Molecular Spectra and Molecular Structure II. Infrared and Raman Spectra of Polyatomic Molecules, Toronto - New York - London 1966,S. 279, View in Reaxys; Jones, W. D.; Diss. Vanderbilt Univ. 1963, 201 S.; Diss. Abstr.; vol. 24; (1964); p. 2946/7, View in Reaxys; Cazzoli, Gabriele; Dore, Luca; Journal of Molecular Spectroscopy; vol. 143; (1990); p. 231 - 236, View in Reaxys; Rank, D. H.; Eastman, D. P.; Rao, B. S.; Wiggins, T. A.; Journal of the Optical Society of America; vol. 51; (1961); p. 929 - 936, View in Reaxys; Gerke, C.; Dreizler, H.; Zeitschrift fuer Naturforschung, A: Physical Sciences; vol. 47; (1992); p. 1058 - 1062, View in Reaxys; Fliege, E.; Dreizler, H.; Cox, A. P.; Hubbard, S. D.; Zeitschrift fuer Naturforschung, Teil A: Physik, Physikalische Chemie, Kosmophysik; vol. 39; (1984); p. 1104 - 1107, View in Reaxys; Martinez, R. Z.; Lehmann, Kevin K.; Carter, Stuart; Journal of Chemical Physics; p. 1 - 4; Art.No: 174306; Journal of Chemical Physics; vol. 125; (2006) ; (from Gmelin), View in Reaxys Rotational spectrum

Gordon; Larson; Thomas; Wilson; The Journal of Chemical Physics; vol. 50; nb. 3; (1969); p. 1388 - 1393, View in Reaxys; Rank et al.; Journal of the Optical Society of America; vol. 50; (1960); p. 421,422 - 432; Chem.Abstr.; nb. 16175; (1960), View in Reaxys; Wang; Overend; Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy; vol. 29; (1973); p. 687, View in Reaxys; Brim et al.; Journal of the Optical Society of America; vol. 50; (1960); p. 1208, View in Reaxys; Belikova; Sviridenkov; Suchkov; Optics and Spectroscopy (English translation of Optika i Spektroskopiya); vol. 37; nb. 4; (1974); p. 372 - 375, View in Reaxys; Ramsey; American Scientist; vol. 49; (1961); p. 509,519, View in Reaxys; Kyroe, E. K.; Shoja-Chaghervand, P.; Eliades, M.; Danzeiser, D.; Lieb, S. G.; Bevan, J. W.; Canadian Journal of Chemistry; vol. 63; (1985); p. 1870 - 1873, View in Reaxys

Stark effect

Oka; Journal of Chemical Physics; vol. 47; (1967); p. 13,21, View in Reaxys; Maki; Lide; Journal of Chemical Physics; vol. 47; (1967); p. 3206,3209, View in Reaxys; Toerring; Zeitschrift fuer Physik; vol. 161; nb. 2; (1961); p. 179 - 189, View in Reaxys; DeLucia; Gordy; Physical Review; vol. 187; (1969); p. 2 - 58, View in Reaxys; RADFORD HE; KURTZ CF; Journal of Research of the National Bureau of Standards, Section A: Physics and Chemistry; vol. 74 A; nb. 6; (1970); p. 791 - 799, View in Reaxys; Winnewisser; Vogt; Zeitschrift fuer Naturforschung, Teil A: Astrophysik, Physik und Physikalische Chemie; vol. 33; (1978); p. 1323,1326, View in Reaxys; Bhattacharya; Gordy; Physical Review; vol. 119; (1960); p. 2 - 144, View in Reaxys

Rotational-Raman spectrum

Bendtsen; Edwards; Journal of Raman Spectroscopy; vol. 2; (1974); p. 407, View in Reaxys

Microwave spectrum

MikrowellenabYarmus; Physical Review; vol. <2> 104; (1956); p. 365, View in Reaxys sorption (DublettUebergaenge: lVerdopplungskonstante) bei 449-6732 MHz.

Microwave spectrum

MikrowellenabMiyahara et al.; J. phys. Soc. Japan; vol. 11; (1956); p. 335, View in Reaxys sorption (DublettUebergaenge: lVerdopplungskonstante) bei 2693-6732 MHz.

Microwave spectrum

MikrowellenabHirakawa et al.; J. phys. Soc. Japan; vol. 11; (1956); p. 1208, View in Reaxys sorption (DublettUebergaenge: lVerdopplungskonstante) bei 12562 MHz.

Microwave spectrum

(Rotationsspektrum) bei 88632 MHz, 177261

Nethercot et al.; Physical Review; vol. <2> 86; (1952); p. 798, View in Reaxys; Burrus; Gordy; Physical Review; vol. <2>101; (1956); p. 599,600, 601, View in Reaxys

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MHz und 265886 MHz. Microwave spectrum

MikrowellenabWesterkamp; Physical Review; vol. <2> 93; (1954); p. 716, View in Reaxys sorption (DublettUebergaenge: lVerdopplungskonstante) bei 9423-3495 MHz.

Microwave spectrum

MikrowellenabCollier; Physical Review; vol. <2> 95; (1954); p. 1201, View in Reaxys sorption (DublettUebergaenge: lVerdopplungskonstante) bei 2693 MHz.

Microwave spectrum

MikrowellenabWeatherly; Williams; Physical Review; vol. <2>87; (1952); p. 517, View in Reaxys sorption (DublettUebergaenge: lVerdopplungskonstante) bei 20181 MHz; 24660 MHz und 29585 MHz.

Microwave spectrum

(Rotationsspektrum) bei 88600-88604 MHz.

Microwave spectrum

MikrowellenabShulman; Townes; Physical Review; vol. <2> 77; (1950); p. 421, View in Reaxys sorption (DublettUebergaenge: lVerdopplungskonstante) bei 9460-35043 MHz.

Microwave spectrum

bei 3-5 mm.

Raman Spectroscopy (8) Description (Ram- Comment (Raman Spectroscopy) an Spectroscopy)

Simmons et al.; Physical Review; vol. <2>77; (1950); p. 77; Physical Review; vol. <2>86; (1952); p. 1055, View in Reaxys; Simmons et al.; Physical Review; vol. <2> 86; (1952); p. 1055, View in Reaxys

Smith et al.; Physical Review; vol. 75; (1949); p. 262, View in Reaxys

References

Raman

Herzberg; Journal of Chemical Physics; vol. 8; (1940); p. 847, View in Reaxys; Dadieu; Naturwissenschaften; vol. 18; (1930); p. 895, View in Reaxys; Kagarise et al.; Journal of Chemical Physics; vol. 20; (1952); p. 1437, View in Reaxys; Dadieu; Monatshefte fuer Chemie; vol. 57; (1931); p. 437,454,467; Chemische Berichte; vol. 64; (1931); p. 358,359, View in Reaxys; Edwards, H.G.M.; Journal of Molecular Structure; vol. 220; (1990); p. 235 - 241, View in Reaxys; Mueller, B.; Lutz, H. D.; Hermeling, J.; Knoezinger, E.; Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy; vol. 49; nb. 2; (1993); p. 191 - 198, View in Reaxys; Maroncelli, M.; Hopkins, G. A.; Nibler, J. W.; Dyke, T. R.; Journal of Chemical Physics; vol. 83; nb. 5; (1985); p. 2129 - 2146, View in Reaxys; Dadieu, A.; Ber. Dtsch. Chem. Ges.; vol. 64; (1931); p. 358 - 361, View in Reaxys; Kastler, A.; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 194; (1932); p. 858 - 861, View in Reaxys; Pezolet, M.; Savoie, R.; Canadian Journal of Chemistry; vol. 47; (1969); p. 3041 - 3048, View in Reaxys; vol. C: MVol.D1; 15.5.20, page 178 - 185, View in Reaxys; vol. C: MVol.D1; 15.5.9, page 170 - 175, View in Reaxys; vol. C: MVol.D1; 15.6, page 186 - 193, View in Reaxys; vol. C: MVol.D1; 15.8.7, page 193 - 199, View in Reaxys; Stoicheff, B.; laut A. E. Douglas, D. Sharma (J. Chem. Phys. 21 (1953) 448/458, View in Reaxys; Stoicheff, B.; laut A. E. Douglas, D. Sharma (J. Chem. Phys. 21 (1953) 448/58, 450), View in Reaxys; Hopkins, G. A.; Maroncelli, M.; Nibler, J. W.; Dyke, T. R.; Chemical Physics Letters; vol. 114; (1985); p. 97 - 102, View in Reaxys; Kim, Joong Hee; Kim, Hong Lae; Chemical Physics Letters; vol. 333; nb. 1-2; (2001); p. 45 - 50, View in Reaxys; Frost, Ray L.; Musumeci, Anthony W.; Bouzaid, Jocelyn; Adebajo, Moses O.; Martens, Wayde N.; Kloprogge, J. Theo; Journal of Solid State Chemistry; vol. 178; nb. 6; (2005); p. 1940 1948 ; (from Gmelin), View in Reaxys

Spectrum

Dultz; Solid State Communications; vol. 15; (1974); p. 595, View in Reaxys; Gans; Gill; Applied Spectroscopy; vol. 31; (1977); p. 451,454, View in Reaxys; Pezolet; Savoie; Canadian Journal of Chemistry; vol. 47; (1969); p. 3041, View in Reaxys

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Raman intensities

Chantry; Plane; Journal of Chemical Physics; vol. 35; (1961); p. 1027,1028, View in Reaxys

Spectrum

von fluessigem HCN und von wss. Loesungen

Herzberg; Journal of Chemical Physics; vol. 8; (1940); p. 847, View in Reaxys; Dadieu; Chemische Berichte; vol. 64; (1931); p. 359; Monatshefte fuer Chemie; vol. 57; (1931); p. 453, View in Reaxys; Dadieu; Monatshefte fuer Chemie; vol. 57; (1931); p. 437,454,467; Chemische Berichte; vol. 64; (1931); p. 358,359, View in Reaxys

Spectrum

Zuordnung der Frequenzen

Degree of depola- Depolarisation rization of Raman der Ramanlinien bands von fluessigem HCN.

Venkateswaran; Phil. Mag.; vol. <7> 15; (1933); p. 267, View in Reaxys

Spectrum

von gasfoermigem und fluessigem HCN

Kastler; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 194; (1932); p. 859, View in Reaxys

Spectrum

von fluessigem HCN

Bhagavantam; Nature (London, United Kingdom); vol. 126; (1930); p. 995, View in Reaxys; Dadieu; Naturwissenschaften; vol. 18; (1930); p. 895, View in Reaxys; Dadieu; Kohlrausch; Chemische Berichte; vol. 63; (1930); p. 1659, View in Reaxys

Luminescence Spectroscopy (6) Description (LuReferences minescence Spectroscopy) Luminescence

Kumeskii; Kushnirenko; Bulletin of the Academy of Sciences of the USSR, Physical Series (English Translation); vol. 34; (1970); p. 474; ; p. 547, View in Reaxys; Belyi et al.; Bulletin of the Academy of Sciences of the USSR, Physical Series (English Translation); vol. 37; nb. 3; (1973); p. 126; ; p. 603, View in Reaxys; Bely et al.; Journal of Luminescence; vol. 8; (1973); p. 367,369, View in Reaxys; Arunan, E.; Setser, D. W.; Journal of Physical Chemistry; vol. 95; nb. 11; (1991); p. 4190 - 4193, View in Reaxys; Ozaki, Yasushi; Kondow, Tamotsu; Kuchitsu, Kozo; Chemical Physics; vol. 109; (1986); p. 345 - 356 ; (from Gmelin), View in Reaxys

X-ray emission spectrum

Stevens, P. A.; Madix, R. J.; Surface Science; vol. 205; (1988); p. 187 - 206 ; (from Gmelin), View in Reaxys

Luminescence quantum yield

Belyi et al.; Bulletin of the Academy of Sciences of the USSR, Physical Series (English Translation); vol. 37; nb. 3; (1973); p. 126; ; p. 603, View in Reaxys; Gruendler; Monatshefte fuer Chemie; vol. 101; (1970); p. 1362,1367,1369, View in Reaxys; Okabe; Diebeler; Journal of Chemical Physics; vol. 59; (1973); p. 2430,2431, View in Reaxys; Lee, L. C.; Journal of Chemical Physics; vol. 72; nb. 12; (1980); p. 6414 - 6421, View in Reaxys

Lasing properties

Clarke et al.; Faraday Discussions of the Chemical Society; vol. 56; (1974); p. 168, View in Reaxys

Luminescence quenching

Frolov et al.; Zhurnal Organicheskoi Khimii; vol. 9; (1973); p. 2320,2335,2336, View in Reaxys

Emission spectrum in the infrared region

Flournoy; Nelson; Chemical Physics Letters; vol. 6; (1970); p. 521, View in Reaxys

Fluorescence Spectroscopy (1) Description (Fluo- References rescence Spectroscopy) Fluorescence

Davis; Okabe; Journal of Chemical Physics; vol. 49; (1968); p. 5526,5528, View in Reaxys; Baronarski et al.; Chemical Physics Letters; vol. 61; (1979); p. 532, View in Reaxys; Zamir et al.; Journal of Chemical Physics; vol. 65; (1976); p. 4885, View in Reaxys; Smith, Ian W. M.; Warr, Jonathan F.; Journal of the Chemical Society, Faraday Transactions; vol. 87; nb. 1; (1991); p. 205 - 206, View in Reaxys; Smith, Ian W. M.; Warr, Jonathan F.; Journal of the Chemical Society, Faraday Transactions; vol. 87; nb. 6; (1991); p. 807 - 813, View in Reaxys; Jonas, David M.; Solina, Stephani Ann B.; Zhao, Xinsheng; Field, Robert W.; Kittrell, Carter; Journal of Chemical Physics; vol. 96; nb. 10; (1992); p. 7209 - 7217, View in Reaxys; Wu, J.; Huang, R.; Gong, M.; Saury, A.; Carrasquillo M., E.; Journal of Chemical Physics; vol. 99; nb. 9; (1993); p. 6474 - 6482, View in Reaxys; Goates, S. R.; Chu, J. O.; Flynn, G. W.; Journal of Chemical Physics; vol. 81; nb. 10; (1984); p. 4521 - 4525, View in Reaxys; Lessen, Daniel; Baskin, J. Spencer; Jones, Christopher M.; He, Tian; Carrasquillo-Molina, Edwin; Journal of Physical Chemistry A; vol. 107; nb. 30; (2003); p.

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Turner; Philosophical Transactions of the Royal Society of London, Series A: Mathematical, Physical and Engineering Sciences; vol. 268; (1970); p. 1,19, View in Reaxys; Baker; Turner; Proceedings of the Royal Society of London, Series A: Mathematical, Physical and Engineering Sciences; vol. 308; (1968); p. 19,20, 21, 28, 30, View in Reaxys; Hollas; Sutherley; Molecular Physics; vol. 24; (1972); p. 1123,1124 - 1127, View in Reaxys; Conrad et al.; Chemical Physics Letters; vol. 46; (1977); p. 571, View in Reaxys; Frost et al.; Chemical Physics Letters; vol. 23; (1973); p. 472,473, 474, View in Reaxys; Bock, Hans; Wittmann, Joerg; Mueller, Hartmut; Chemische Berichte; vol. 115; nb. 6; (1982); p. 2338 - 2345, View in Reaxys; Hu; Zhang; Hepburn; Journal of Chemical Physics; vol. 124; nb. 7; (2006); Art.No: 074310, View in Reaxys; Kreile, Juergen; Schweig, Armin; Thiel, Walter; Chemical Physics Letters; vol. 87; (1982); p. 473 - 476, View in Reaxys; Eland; Field; Baltzer; Hirst; Chemical Physics; vol. 229; nb. 2-3; (1998); p. 149 - 163, View in Reaxys; Hochlaf; Pilcher-Clayton; Eland; Chemical Physics; vol. 309; nb. 2-3; (2005); p. 291 301 ; (from Gmelin), View in Reaxys

ESCA

Bennett; Dalby; Journal of Chemical Physics; vol. 36; (1962); p. 399, View in Reaxys; Serafin, J. G.; Friend, C. M.; Journal of Physical Chemistry; vol. 92; nb. 23; (1988); p. 6694 - 6700, View in Reaxys; Linquist, John M.; Ziegler, John P.; Hemminger, John C.; Surface Science; vol. 210; (1989); p. 27 - 45, View in Reaxys; Stevens, P. A.; Madix, R. J.; Surface Science; vol. 205; (1988); p. 187 - 206, View in Reaxys; Kovacek, D.; Maksic, Z. B.; Petanjek, I.; Basic, I.; Journal of Molecular Structure; vol. 305; (1994); p. 261 - 282, View in Reaxys; Maksic, Z. B.; Kovacek, D.; Kovacevic, K.; Medven, Z.; Journal of Molecular Structure; vol. 304; (1994); p. 151 - 162, View in Reaxys; Giertz; Borve; Baessler; Wiesner; Svensson; Karlsson; Saethre; Chemical Physics; vol. 277; nb. 1; (2002); p. 83 - 90 ; (from Gmelin), View in Reaxys

Electron energy loss spectrum

Edard, Florence; Hitchcock, Adam P.; Tronc, Michel; Journal of Physical Chemistry; vol. 94; (1990); p. 2768 - 2774, View in Reaxys; Serafin, J. G.; Friend, C. M.; Journal of Physical Chemistry; vol. 92; nb. 23; (1988); p. 6694 - 6700, View in Reaxys; Rianda, Ronald; Frueholz, Robert P.; Kuppermann, Aron; Journal of Chemical Physics; vol. 80; nb. 9; (1984); p. 4035 - 4043, View in Reaxys; Kordesch, M. E.; Stenzel, W.; Conrad, H.; Surface Science; vol. 205; (1988); p. 100 - 116, View in Reaxys; Hitchcock, A. P.; Brion, C. E.; Journal of Electron Spectroscopy and Related Phenomena; vol. 15; (1979); p. 201 - 206 ; (from Gmelin), View in Reaxys

Moessbauer effect

Borshagovskii; Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation); (1968); p. 81; Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya; (1968); p. 87, View in Reaxys; Burger et al.; Radiochemical and Radioanalytical Letters; vol. 2; (1969); p. 153, View in Reaxys

Use (29) Laboratory Use and Handling

Use Pattern

Location

Toxic

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supporting information

Falk, Anna; Cavalieri, Alberto; Nichol, Gary S.; Vogt, Dieter; Schmalz, Hans-Günther; Advanced Synthesis and Catalysis; vol. 357; nb. 14-15; (2015); p. 3317 - 3320, View in Reaxys; Chen, ChiShian; Kuo, Ting-Shen; Yeh, Wen-Yann; Chemistry - A European Journal; vol. 22; nb. 26; (2016); p. 8773 - 8776, View in Reaxys

Avoid contact with skin

supporting information

Šebestík, Jaroslav; Teplý, Filip; Císařová, Ivana; Vávra, Jan; Koval, Dušan; Bouř, Petr; Chemical Communications; vol. 52; nb. 37; (2016); p. 6257 - 6260, View in Reaxys

Store cold

supporting information

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Volatile

supporting information

Falk, Anna; Cavalieri, Alberto; Nichol, Gary S.; Vogt, Dieter; Schmalz, Hans-Günther; Advanced Synthesis and Catalysis; vol. 357; nb. 14-15; (2015); p. 3317 - 3320, View in Reaxys

toxic

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explosive

Bini, Laura; Pidko, Evgeny A.; Mueller, Christian; Van Santen, Rutger A.; Vogt, Dieter; Chemistry - A European Journal; vol. 15; nb. 35; (2009); p. 8768 - 8778, View in Reaxys

volatile

Bini, Laura; Pidko, Evgeny A.; Mueller, Christian; Van Santen, Rutger A.; Vogt, Dieter; Chemistry - A European Journal; vol. 15; nb. 35; (2009); p. 8768 - 8778, View in Reaxys

handling described

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Patent; Lewis, Kenrick M.; Cameron, Rudolph A.; Ritscher, James S.; Ritscher, Karen; US2007/287850; (2007); (A1) English, View in Reaxys

Solvent

Patent; Nektar Therapeutics UK Limited; US2006/62848; (2006); (A1) English, View in Reaxys

Antimicrobial

Patent; SELECTIVE MICRO TECHNOLOGIES, LLC; WO2006/78786; (2006); (A1) English, View in Reaxys

Avoid contact with acids

Avoid contact with bases

Purkarthofer, Thomas; Pabst, Thomas; Van Den Broek, Cor; Griengl, Herfried; Maurer, Oliver; Skranc, Wolfgang; Organic Process Research and Development; vol. 10; nb. 3; (2006); p. 618 621, View in Reaxys modifier in a process of hydrogenating a dinitrile comprising contacting the dinitrile with hydrogen in the present of a catalyst and a modifier at a pressure of at least about 15.27 MPa

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Reduction agent

Patent; FRED HUTCHINSON CANCER RESEARCH CENTER; WO2005/39291; (2005); (A2) English, View in Reaxys

Important starting material for different organic syntheses

Patent; BASF AKTIENGESELLSCHAFT; WO2004/50587; (2004); (A2) German, View in Reaxys

Starting material for the preparation of methacrylic acid esters

Patent; BASF AKTIENGESELLSCHAFT; WO2004/50587; (2004); (A2) German, View in Reaxys

Starting material for the preparation of lactic acid

Patent; BASF AKTIENGESELLSCHAFT; WO2004/50587; (2004); (A2) German, View in Reaxys

Starting material for the preparation of pharmaceutical products

Patent; BASF AKTIENGESELLSCHAFT; WO2004/50587; (2004); (A2) German, View in Reaxys

Starting material for the preparation of agrochemical products

Patent; BASF AKTIENGESELLSCHAFT; WO2004/50587; (2004); (A2) German, View in Reaxys

Mining

Patent; BASF AKTIENGESELLSCHAFT; WO2004/50587; (2004); (A2) German, View in Reaxys

Industry

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information on use

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Cobb, A. W.; Walton, J. H.; Journal of Physical Chemistry; vol. 41; (1937); p. 351 - 363, View in Reaxys; Kincses, G.; Veszpremi Vegyip. Egy. Kozl.; vol. 4; (1960); p. 51 - 60; C.A.; vol. 56; (1962); p. 9691, View in Reaxys; vol. C: MVol.D1; 15.11.11.7, page 224 - 242 ; (from Gmelin), View in Reaxys

thermic relativ stable; decompn. above 200°C

Voelker, T.; Angewandte Chemie; vol. 72; (1960); p. 379 - 384, View in Reaxys; vol. C: MVol.D1; 18.3, page 252 - 255 ; (from Gmelin), View in Reaxys

stable at room temp.

Giauque; Ruehrwein; Journal of the American Chemical Society; vol. 61; (1939); p. 2626, View in Reaxys; vol. C: MVol.D1; 15.4.2.3, page 127 - 161 ; (from Gmelin), View in Reaxys

decompn. in a tube in presence of moisture and PCl3 at 160-170 °C;

Wahrhane, G.; Huebner, H.; Liebigs Annalen der Chemie; vol. 132; (1864); p. 277 - 289, View in Reaxys; vol. P: MVol.C; 185, page 427 429 ; (from Gmelin), View in Reaxys

diln. under decompn. in concd. H2SO4;

Berzelius, J. J.; Ann. Chim. Phys.; vol. 15; (1820); p. 260 - 260, View in Reaxys; Berzelius, J. J.; Schw. J.; vol. 30; (1820); p. 63 63, View in Reaxys; vol. Fe: MVol.B3; 28, page 568 - 570 ; (from Gmelin), View in Reaxys

Isolation from Natural Product (1) Isolation from References Natural Product Red. d. Extrakt Hardy; Knight; Biochimica et Biophysica Acta; vol. 139; (1967); p. 69,81, View in Reaxys aus Clostridium pasteurianum, katalysiert Quantum Chemical Calculations (573) Calculated Prop- Method (Quantum Location erties Chemical Calculations)

References

IR bands, intensities, transition moments

DFT - density functional methods

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IR bands, intensities, transition moments

further quantum chemical calcns.

Rotational constants

further quantum chemical calcns.

Puzzarini, Cristina; Heckert, Miriam; Gauss, Juergen; Journal of Chemical Physics; p. 1 - 9; Art.No: 194108; Journal of Chemical Physics; vol. 128; (2008), View in Reaxys; Vogt, Natalaja; Vogt, Juergen; Demaison, Jean; Journal of Molecular Structure; vol. 988; nb. 1-3; (2011); p. 119 - 127 ; (from Gmelin), View in Reaxys

Rotational-vibrational constants

further quantum chemical calcns.

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Dipole moment, dipole moment derivative; Polarizability, polarizability derivatives

Electron correlation and CI calcn.

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supporting information

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Dipole moment, dipole moment derivative; Polarizability, polarizability derivatives; Atom distances, angles

further quantum chemical calcns.

Gora, Robert W.; Zalesny, Robert; Zawada, Agnieszka; Bartkowiak, Wojciech; Skwara, Bartlomiej; Papadopoulos, Manthos G.; Silva, Daniel L.; Journal of Physical Chemistry A; vol. 115; nb. 18; (2011); p. 4691 - 4700 ; (from Gmelin), View in Reaxys

Dipole moment, dipole moment derivative; Polarizability, polarizability derivatives

further quantum chemical calcns.

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Molecular orbitals; Electronic energy levels

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Ishmaeva; Kataev; Vereshchagina; Fattakhova; Bazhanova; Russian Journal of General Chemistry; vol. 73; nb. 6; (2003); p. 888 895, View in Reaxys; Wasada-Tsutsui, Yuko; Wasada, Hiroaki; Funahashi, Shigenobu; Bulletin of the Chemical Society of Japan; vol. 76; nb. 9; (2003); p. 1713 - 1722, View in Reaxys; Karthikeyan; Sedlak, Robert; Hobza, Pavel; Journal of Physical Chemistry A; vol. 115; nb. 34; (2011); p. 9422 - 9428 ; (from Gmelin), View in Reaxys

Dipole moment, dipole moment derivative; Polarizability, polarizability derivatives

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

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Correlation energy

further quantum chemical calcns.

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Correlation energy

Electron correlation and CI calcn.

Petersson, George A.; Frisch, Michael J.; Journal of Physical Chemistry A; vol. 104; nb. 11; (2000); p. 2183 - 2190, View in Reaxys; Varandas; Journal of Chemical Physics; vol. 113; nb. 20; (2000); p. 8880 - 8887, View in Reaxys; Rosciszewski, K.; Chaumet, M.; Fulde, P.; Chemical Physics; vol. 151; (1991); p. 159 168, View in Reaxys; Medrano, Jorge A.; Reale, Hector F.; Bochicchio, Roberto C.; Journal of Molecular Structure; vol. 135; (1986); p. 117 - 126, View in Reaxys; Wang, Yubin; Gan, Zhengting; Su, Kehe; Wen, Zhenyi; Chemical Physics Letters; vol. 312; nb. 2-4; (1999); p. 277 - 283, View in Reaxys; Huh, Soon Bum; Lee, Jae

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Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

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Atom distances, angles; Vibrational constants

Electron correlation and CI calcn.

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IR bands, intensities, transition moments; Population analysis,

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Milani, Alberto; Castiglioni, Chiara; Journal of Physical Chemistry A; vol. 114; nb. 1; (2010); p. 624 - 632 ; (from Gmelin), View in Reaxys

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charge distribution Vibrational constants; Raman bands, intensities, transition moments

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Brewer, Kathryn E.; Aikens, Christine M.; Journal of Physical Chemistry A; vol. 114; nb. 33; (2010); p. 8858 - 8863 ; (from Gmelin), View in Reaxys

Potential energy function, potential curve

Electron correlation and CI calcn.

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Atom distances, angles

Electron correlation and CI calcn.

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Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

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Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

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Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Mosquera, Ricardo A.; Lopez, Jose Luis; Grana, Ana M.; Journal of Physical Chemistry A; vol. 113; nb. 11; (2009); p. 2652 - 2657 ; (from Gmelin), View in Reaxys

IR bands, intensities, transition moments; Atom distances, angles; Total energy; Population analy-

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Qi; Chen; Wu; Zhang; Au; Chemical Physics; vol. 364; nb. 1-3; (2009); p. 31 - 38 ; (from Gmelin), View in Reaxys

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sis, charge distribution Electronic energy levels; Molecular orbitals

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Ard; Garrett; Compton; Adamowicz; Stepanian; Chemical Physics Letters; vol. 473; nb. 4-6; (2009); p. 223 - 226 ; (from Gmelin), View in Reaxys

Force constant; Atom distances, angles; Vibrational constants

Electron correlation and CI calcn.

Karpfen, Alfred; Kryachko, Eugene S.; Journal of Physical Chemistry A; vol. 113; nb. 17; (2009); p. 5217 - 5223 ; (from Gmelin), View in Reaxys

Transition enerElectron correlagies; Atom distan- tion and CI calcn. ces, angles; Excited states

Rhee, Young Min; Casanova, David; Head-Gordon, Martin; Journal of Physical Chemistry A; vol. 113; nb. 39; (2009); p. 10564 10576 ; (from Gmelin), View in Reaxys

Transition enerfurther quantum gies; Atom distan- chemical calcns. ces, angles; Excited states

Rhee, Young Min; Casanova, David; Head-Gordon, Martin; Journal of Physical Chemistry A; vol. 113; nb. 39; (2009); p. 10564 10576 ; (from Gmelin), View in Reaxys

Molecular orbitals; Electronic energy levels; Population analysis, charge distribution

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Leftwich, Timothy R.; Teplyakov, Andrew V.; Journal of Electron Spectroscopy and Related Phenomena; vol. 175; nb. 1-3; (2009); p. 31 - 40 ; (from Gmelin), View in Reaxys

Potential energy function, potential curve

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Nguyen, Minh Tho; Hegarty, Anthony F.; Sana, Michel; Leroy, Georges; Journal of the American Chemical Society; vol. 107; nb. 14; (1985); p. 4141 - 4145, View in Reaxys; Chuljian, David T.; Simons, Jack; Journal of the American Chemical Society; vol. 104; nb. 3; (1982); p. 646 - 652, View in Reaxys; Galabov; Bobadova-Parvanova; Journal of Molecular Structure; vol. 550-551; (2000); p. 93 98, View in Reaxys; Lauvergnat, David; Nauts, Andre; Justum, Yves; Chapuisat, Xavier; Journal of Chemical Physics; vol. 114; nb. 15; (2001); p. 6592 - 6604, View in Reaxys; Ross, S. C.; Bunker, P. R.; Journal of Molecular Spectroscopy; vol. 105; (1984); p. 369 - 384, View in Reaxys; Dawes, Richard; Thompson, Donald L.; Guo, Yin; Wagner, Albert F.; Minkoff, Michael; Journal of Chemical Physics; p. 1 - 11; Art.No: 184108; Journal of Chemical Physics; vol. 126; (2007), View in Reaxys; Sparta, Manuel; Hoyvik, Ida-Marie; Toffoli, Daniele; Christiansen, Ove; Journal of Physical Chemistry A; vol. 113; nb. 30; (2009); p. 8712 - 8723 ; (from Gmelin), View in Reaxys

NMR shifts, signals, intensities, transition moments

further quantum chemical calcns.

Wilson, Philip J.; Tozer, David J.; Chemical Physics Letters; vol. 337; nb. 4-6; (2001); p. 341 - 348, View in Reaxys; Mogelhoj, Andreas; Aidas, Kestutis; Mikkelsen, Kurt V.; Kongsted, Jacob; Chemical Physics Letters; vol. 460; nb. 1-3; (2008); p. 129 - 136, View in Reaxys; Perera, S. Ajith; Gregusova, Adriana; Bartlett, Rodney J.; Journal of Physical Chemistry A; vol. 113; nb. 13; (2009); p. 3197 - 3201 ; (from Gmelin), View in Reaxys

Atom distances, angles

further quantum chemical calcns.

Gauss, Juergen; Stanton, John F.; Journal of Chemical Physics; vol. 116; nb. 5; (2002); p. 1773 - 1782, View in Reaxys; Berghold, Gerd; Parrinello, Michele; Hutter, Juerg; Journal of Chemical Physics; vol. 116; nb. 5; (2002); p. 1800 - 1810, View in Reaxys; Byrd, Edward F.C.; Van Voorhis, Troy; Head-Gordon, Martin; Journal of Physical Chemistry B; vol. 106; nb. 33; (2002); p. 8070 8077, View in Reaxys; Stiles; Moore; Miller; Journal of Chemical Physics; vol. 118; nb. 17; (2003); p. 7873 - 7881, View in Reaxys; Lippincott, E. R.; Dayhoff, M. O.; Spectrochim. Acta.; vol. 16; (1960); p. 807 - 834, View in Reaxys; vol. C: MVol.D1; 15.5.9, page 170 - 175, View in Reaxys; Nielsen, Ida M. Beck; Janssen, Curtis L.; Chemical Physics Letters; vol. 310; nb. 5-6; (1999); p. 568 - 576, View in Reaxys; Janssen, Curtis L.; Nielsen, Ida M. B.; Chemical Physics Letters; vol. 290; nb. 4-6; (1998); p. 423 - 430, View in Reaxys; Heckert, Miriam; Kallay, Mihaly; Tew, David P.; Klopper, Wim; Gauss, Juergen; Journal of Chemical Physics; vol. 125; nb. 4; (2006); Art.No: 044108, View in Reaxys; Merritt, Jeremy

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further quantum chemical calcns.

Becke, Axel D.; Journal of Chemical Physics; vol. 96; nb. 3; (1992); p. 2155 - 2160, View in Reaxys; Siegbahn, Per E. M.; Svensson, Mats; Boussard, Per J. E.; Journal of Chemical Physics; vol. 102; nb. 13; (1995); p. 5377 - 5386, View in Reaxys; Feller, David; Journal of Chemical Physics; vol. 110; nb. 17; (1999); p. 8384 - 8396, View in Reaxys; Feller; Dixon; Journal of Chemical Physics; vol. 115; nb. 8; (2001); p. 3484 - 3496, View in Reaxys; Imamura, Yutaka; Scuseria, Gustavo E.; Martin, Richard M.; Journal of Chemical Physics; vol. 116; nb. 15; (2002); p. 6458 - 6467, View in Reaxys; Grossman, Jeffrey C.; Journal of Chemical Physics; vol. 117; nb. 4; (2002); p. 1434 - 1440, View in Reaxys; Rossi, Ivan; Truhlar, Donald G.; Chemical Physics Letters; vol. 234; (1995); p. 64 - 70, View in Reaxys; Martin, Jan M.L.; Chemical Physics Letters; vol. 259; nb. 5-6; (1996); p. 679 - 682, View in Reaxys; Martin, Jan M.L.; Journal of Molecular Structure: THEOCHEM; vol. 398-399; (1997); p. 135 - 144, View in Reaxys; Brand, Holmann V.; Chemical Physics Letters; vol. 458; nb. 4-6; (2008); p. 272 - 275, View in Reaxys; Harding, Michael E.; Vazquez, Juana; Ruscic, Branko; Wilson, Angela K.; Gauss, Juergen; Stanton, John F.; Journal of Chemical Physics; p. 1 - 15; Art.No: 114111; Journal of Chemical Physics; vol. 128; (2008), View in Reaxys; Klopper, Wim; Ruscic, Branko; Tew, David P.; Bischoff, Florian A.; Wolfsegger, Sandra; Chemical Physics; vol. 356; nb. 1-3; (2009); p. 14 - 24 ; (from Gmelin), View in Reaxys

Atom distances, angles; Vibrational constants

further quantum chemical calcns.

Andzelm, J.; Wimmer, E.; Journal of Chemical Physics; vol. 96; nb. 2; (1992); p. 1280 - 1303, View in Reaxys; Kobayashi, Rika; Amos, Roger D.; Handy, Nicholas C.; Journal of Chemical Physics; vol. 100; nb. 2; (1994); p. 1375 - 1379, View in Reaxys; Haettig, Christof; Journal of Chemical Physics; vol. 118; nb. 17; (2003); p. 7751 7761, View in Reaxys; Solimannejad; Alikhani; Chemical Physics Letters; vol. 406; nb. 4-6; (2005); p. 351 - 354, View in Reaxys; Schmidt; Journal of Physical Chemistry A; vol. 109; nb. 50; (2005); p. 11429 - 11436, View in Reaxys; Dawes, Richard; Wagner, Albert F.; Thompson, Donald L.; Journal of Physical Chemistry A; vol. 113; nb. 16; (2009); p. 4709 - 4721 ; (from Gmelin), View in Reaxys

Total energy

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Deakyne, Carol A.; Meot-Ner (Mautner), Michael; Journal of Physical Chemistry; vol. 94; nb. 1; (1990); p. 232 - 239, View in Reaxys; Ringnalda, Murco N.; Belhadj, Mahfoud; Friesner, Richard A.; Journal of Chemical Physics; vol. 93; nb. 5; (1990); p. 3397 - 3407, View in Reaxys; Sano, Tatsuji; I'Haya, Yasumasa J.; Journal of Chemical Physics; vol. 95; nb. 9; (1991); p. 6607 - 6614, View in Reaxys; Smith, Brian J.; Radom, Leo; Journal of Physical Chemistry; vol. 95; nb. 26; (1991); p. 10549 - 10551, View in Reaxys; Fliszaar, Saandor; Foucrault, Marielle; Beraldin, Marie-Therese; Bridet, Jacques; Canadian Journal of Chemistry; vol. 59; (1981); p. 1074 - 1082, View in Reaxys; Gao, Jiali; Garner, Debra S.; Jorgensen, William L.; Journal of the American Chemical Society; vol. 108; nb. 16; (1986); p. 4784 - 4790, View in Reaxys; Luke, Brian T.; Pople, John A.; Krogh-Jespersen, Mary-Beth; Apeloig, Yitzhak; Karni, Miriam; et al.; Journal of the American Chemical Society; vol. 108; nb. 2; (1986); p. 270 - 284, View in Reaxys; Inamoto, Naoki; Masuda, Shozo; Niwa, Jun; Bulletin of the Chemical Society of Japan; vol. 58; nb. 1; (1985); p. 158 - 164, View in Reaxys; Koch, Wolfram; Journal of the Chemical Society, Chemical Communications; (1989); p. 215 - 216, View in Reaxys; Greeley, Burnham H.; Russo, Thomas V.; Mainz, Daniel T.; Friesner, Richard A.; Langlois, Jean-Marc; et. al.; Journal of Chemical Physics; vol. 101; nb. 5; (1994); p. 4028 - 4041, View in Reaxys; Kar, Tapas; Scheiner, Steve; Journal of Physical Chemistry; vol. 99; nb. 20; (1995); p. 8121 - 8124, View in Reaxys; Derecskei-Kovacs, Agnes; North, Simon W.; Journal of Chemical Physics; vol. 110; nb. 2-12; (1999); p. 2862 2871, View in Reaxys; Kafafi, Sherif A.; Journal of Physical Chemistry A; vol. 102; nb. 50; (1998); p. 10404 - 10413, View in Reaxys;

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Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-al-

Proynov, Emil; Gan, Zhenting; Kong, Jing; Chemical Physics Letters; vol. 455; nb. 1-3; (2008); p. 103 - 109 ; (from Gmelin), View in Reaxys

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pha, HartreeFock) Atom distances, angles; Vibrational constants; Excited states

Electron correlation and CI calcn.

Zhou, Shulan; Xie, Daiqian; Xu, Dingguo; Guo, Hua; Field, Robert W.; Chemical Physics Letters; vol. 455; nb. 4-6; (2008); p. 145 150, View in Reaxys; Chaudhuri, Rajat K.; Freed, Karl F.; Journal of Chemical Physics; p. 1 - 6; Art.No: 114103; Journal of Chemical Physics; vol. 126; (2007) ; (from Gmelin), View in Reaxys

Transition energies; Oscillator strength, transition probability; Excited states

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Miao, Maosheng; Dreger, Zbigniew A.; Patterson, James E.; Gupta, Yogendra M.; Journal of Physical Chemistry A; vol. 112; nb. 32; (2008); p. 7383 - 7390 ; (from Gmelin), View in Reaxys

Transition energies; Oscillator strength, transition probability; Excited states

Electron correlation and CI calcn.

Miao, Maosheng; Dreger, Zbigniew A.; Patterson, James E.; Gupta, Yogendra M.; Journal of Physical Chemistry A; vol. 112; nb. 32; (2008); p. 7383 - 7390 ; (from Gmelin), View in Reaxys

Correlation energy; Total energy

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Harding, Michael E.; Vazquez, Juana; Ruscic, Branko; Wilson, Angela K.; Gauss, Juergen; Stanton, John F.; Journal of Chemical Physics; p. 1 - 15; Art.No: 114111; Journal of Chemical Physics; vol. 128; (2008) ; (from Gmelin), View in Reaxys

Electronic energy levels

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Campodonico, Paola R.; Andres, Juan; Aizman, Arie; Contreras, Renato; Chemical Physics Letters; vol. 464; nb. 4-6; (2008); p. 271 275 ; (from Gmelin), View in Reaxys

Vibrational constants; Atom distances, angles; Population analysis, charge distribution

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Geier, Jens; Willner, Helge; Zeitschrift fur Anorganische und Allgemeine Chemie; vol. 634; nb. 11; (2008); p. 1863 - 1866 ; (from Gmelin), View in Reaxys

Dipole moment, dipole moment derivative; Molecular orbitals; Electronic energy levels

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Deprince, A. Eugene; Kamarchik, Eugene; Mazziotti, David A.; Journal of Chemical Physics; p. 1 - 7; Art.No: 234103; Journal of Chemical Physics; vol. 128; (2008) ; (from Gmelin), View in Reaxys

Dipole moment, further quantum dipole moment chemical calcns. derivative; Molecular orbitals; Electronic energy levels

Deprince, A. Eugene; Kamarchik, Eugene; Mazziotti, David A.; Journal of Chemical Physics; p. 1 - 7; Art.No: 234103; Journal of Chemical Physics; vol. 128; (2008) ; (from Gmelin), View in Reaxys

Dipole moment, Electron correladipole moment tion and CI calcn. derivative; Molecular orbitals; Electronic energy levels

Deprince, A. Eugene; Kamarchik, Eugene; Mazziotti, David A.; Journal of Chemical Physics; p. 1 - 7; Art.No: 234103; Journal of Chemical Physics; vol. 128; (2008) ; (from Gmelin), View in Reaxys

Vibrational constants

Feller, David; Peterson, Kirk A.; Journal of Chemical Physics; vol. 108; nb. 1; (1998); p. 154 - 176, View in Reaxys; Gardebien, Fabrice; Sevin, Alain; Journal of Physical Chemistry A; vol. 107; nb. 19; (2003); p. 3935 - 3941, View in Reaxys; Burden, F. R.; Quiney, H. M.; Molecular Physics; vol. 53; (1984); p. 917 - 928, View in Reaxys; Plummer, P. L. Moore; Chattopadhyay, S.; Zeitschrift fuer Physik D: Atoms, Molecules and Clusters; vol. 26S; (1993); p. 329 - 331, View in Reaxys; Spoliti, M.; Bencivenni, L.; Ramondo, F.; Journal of Molecular Structure; vol. 303; (1994); p. 185 - 204, View in Reaxys; Malaspina; Fileti; Riveros; Canuto; Journal of Physical Chemistry A; vol. 110; nb. 34; (2006); p. 10303 - 10308, View in Reaxys; Rivelino, Roberto; Journal of Physical Chemistry A; vol. 112; nb. 2; (2008); p. 161 - 165 ; (from Gmelin), View in Reaxys

Electron correlation and CI calcn.

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Atom distances, angles; Dipole moment, dipole moment derivative

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Ramos, M. N.; Taft, C. A.; Tostes, J. G. R.; Lester, W. A.; Journal of Molecular Structure; vol. 175; (1988); p. 303 - 306, View in Reaxys; Ramos, Mar; Alkorta, Ibon; Elguero, Jose; Golubev, Nicolai S.; Denisov, Gleb S.; Benedict, Hans; Limbach, Hans-Heinrich; Journal of Physical Chemistry A; vol. 101; nb. 50; (1997); p. 9791 - 9800, View in Reaxys; Rivelino, Roberto; Ludwig, Valdemir; Rissi, Eduardo; Canuto, Sylvio; Journal of Molecular Structure; vol. 615; nb. 1-3; (2002); p. 257 - 266, View in Reaxys; Bassi, A. B. M. S.; Journal of Chemical Physics; vol. 68; (1978); p. 5667 - 5668, View in Reaxys; Eckl, Bernhard; Vrabec, Jadran; Hasse, Hans; Journal of Physical Chemistry B; vol. 112; nb. 40; (2008); p. 12710 - 12721 ; (from Gmelin), View in Reaxys

Atomization energy

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Becke, Axel D.; Journal of Chemical Physics; vol. 97; nb. 12; (1992); p. 9173 - 9177, View in Reaxys; Becke, Axel D.; Journal of Chemical Physics; vol. 98; nb. 2; (1993); p. 1372 - 1377, View in Reaxys; Siegbahn, Per E. M.; Svensson, Mats; Boussard, Per J. E.; Journal of Chemical Physics; vol. 102; nb. 13; (1995); p. 5377 - 5386, View in Reaxys; Stewart, Phillip A.; Gill, Peter M. W.; Journal of the Chemical Society, Faraday Transactions; vol. 91; nb. 24; (1995); p. 4337 - 4342, View in Reaxys; Becke, Axel D.; Journal of Chemical Physics; vol. 104; nb. 3; (1996); p. 1040 - 1046, View in Reaxys; Perdew, John P.; Ernzerhof, Matthias; Burke, Kieron; Journal of Chemical Physics; vol. 105; nb. 22; (1996); p. 9982 - 9985, View in Reaxys; Martell, Jaime M.; Goddard, John D.; Eriksson, Leif A.; Journal of Physical Chemistry A; vol. 101; nb. 10; (1997); p. 1927 - 1934, View in Reaxys; Becke, Axel D.; Journal of Chemical Physics; vol. 109; nb. 6; (1998); p. 2092 - 2098, View in Reaxys; Van Voorhis, Troy; Scuseria, Gustavo E.; Journal of Chemical Physics; vol. 109; nb. 2; (1998); p. 400 - 410, View in Reaxys; Ernzerhof, Matthias; Scuseria, Gustavo E.; Journal of Chemical Physics; vol. 111; nb. 3; (1999); p. 911 - 915, View in Reaxys; Fast, Patton L.; Sanchez, Maria L.; Truhlar, Donald G.; Journal of Chemical Physics; vol. 111; nb. 7; (1999); p. 2921 - 2926, View in Reaxys; Ernzerhof, Matthias; Scuseria, Gustavo E.; Journal of Chemical Physics; vol. 110; nb. 11; (1999); p. 5029 - 5036, View in Reaxys; Becke, Axel D.; Journal of Chemical Physics; vol. 112; nb. 9; (2000); p. 4020 4026, View in Reaxys; Proynov; Chermette; Salahub; Journal of Chemical Physics; vol. 113; nb. 22; (2000); p. 10013 - 10027, View in Reaxys; Tao; Journal of Chemical Physics; vol. 115; nb. 8; (2001); p. 3519 - 3530, View in Reaxys; Kang, Jeung Ku; Musgrave, Charles B.; Journal of Chemical Physics; vol. 115; nb. 24; (2001); p. 11040 - 11051, View in Reaxys; Ernzerhof, Matthias; Maximoff, Sergey N.; Scuseria, Gustavo E.; Journal of Chemical Physics; vol. 116; nb. 10; (2002); p. 3980 - 3984, View in Reaxys; Imamura, Yutaka; Scuseria, Gustavo E.; Martin, Richard M.; Journal of Chemical Physics; vol. 116; nb. 15; (2002); p. 6458 - 6467, View in Reaxys; Salomon, Oliver; Reiher, Markus; Hess, Bernd Artur; Journal of Chemical Physics; vol. 117; nb. 10; (2002); p. 4729 - 4737, View in Reaxys; Heyd, Jochen; Scuseria, Gustavo E.; Ernzerhof, Matthias; Journal of Chemical Physics; vol. 118; nb. 18; (2003); p. 8207 - 8215, View in Reaxys; Perdew, John P.; Tao, Jianmin; Staroverov, Viktor N.; Scuseria, Gustavo E.; Journal of Chemical Physics; vol. 120; nb. 15; (2004); p. 6898 - 6911, View in Reaxys; Furche, Filipp; Van Voorhis, Troy; Journal of Chemical Physics; vol. 122; nb. 16; (2005); Art.No: 164106, View in Reaxys; Paier, Joachim; Hirschl, Robin; Marsman, Martijn; Kresse, Georg; Journal of Chemical Physics; vol. 122; nb. 23; (2005); Art.No: 234102, View in Reaxys; Zope, Rajendra R.; Dunlap, Brett I.; Journal of Chemical Physics; vol. 124; nb. 4; (2006); Art.No: 044107, View in Reaxys; Gill, Peter M. W.; Johnson, Benny G.; Pople, John A.; Frisch, Michael J.; Chemical Physics Letters; vol. 197; (1992); p. 499 - 505, View in Reaxys; Panas, Itai; Chemical Physics Letters; vol. 245; (1995); p. 171 - 177, View in Reaxys; Adamson, Ross D.; Gill, Peter M.W.; Journal of Molecular Structure: THEOCHEM; vol. 398-399; (1997); p. 45 - 54, View in Reaxys; Mortensen, J. J.; Hansen, L. B.; Jacobsen, K. W.; Physical Review B: Condensed Matter and Materials Physics; p. 1 - 11; Art.No: 035109; ; vol. 71; (2005), View in Reaxys; Vauthier, E.; Blain, M.; Odiot, S.; Barone, V.; Comeau. M.; Fliszar, S.; Journal of Molecular

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Structure; vol. 340; (1995); p. 63 - 72, View in Reaxys; Zope, Rajendra R.; Dunlap, Brett I.; Chemical Physics Letters; vol. 399; nb. 4-6; (2004); p. 417 - 421, View in Reaxys; Cafiero, Mauricio; Chemical Physics Letters; vol. 418; nb. 1-3; (2006); p. 126 - 131, View in Reaxys; Wang, Nick X.; Venkatesh, Krishna; Wilson, Angela K.; Journal of Physical Chemistry A; vol. 110; nb. 2; (2006); p. 779 - 784, View in Reaxys; Zhang, Yue; Salahub, Dennis R.; Chemical Physics Letters; vol. 436; nb. 4-6; (2007); p. 394 - 399, View in Reaxys; Karton, Amir; Tarnopolsky, Alex; Lamere, JeanFrancois; Schatz, George C.; Martin, Jan M. L.; Journal of Physical Chemistry A; vol. 112; nb. 50; (2008); p. 12868 - 12886 ; (from Gmelin), View in Reaxys Vibrational constants; Excited states

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Tokura, Seiken; Yagi, Kiyoshi; Tsuneda, Takao; Hirao, Kimihiko; Chemical Physics Letters; vol. 436; nb. 1-3; (2007); p. 30 - 35 ; (from Gmelin), View in Reaxys

Vibrational constants; Excited states

further quantum chemical calcns.

Tokura, Seiken; Yagi, Kiyoshi; Tsuneda, Takao; Hirao, Kimihiko; Chemical Physics Letters; vol. 436; nb. 1-3; (2007); p. 30 - 35 ; (from Gmelin), View in Reaxys

Dipole moment, dipole moment derivative; Electron distribution

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Kar, Rahul; Chandrakumar; Pal, Sourav; Journal of Physical Chemistry A; vol. 111; nb. 2; (2007); p. 375 - 383 ; (from Gmelin), View in Reaxys

Population analysis, charge distribution; Dipole moment, dipole moment derivative

Electron correlation and CI calcn.

Mata, Ignasi; Molins, Elies; Alkorta, Ibon; Espinosa, Enrique; Journal of Physical Chemistry A; vol. 111; nb. 28; (2007); p. 6425 6433 ; (from Gmelin), View in Reaxys

Atom distances, angles; NMR shifts, signals, intensities, transition moments; Shielding constant

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Zhang, Ying; Wu, Anan; Xu, Xin; Yan, Yijing; Journal of Physical Chemistry A; vol. 111; nb. 38; (2007); p. 9431 - 9437 ; (from Gmelin), View in Reaxys

Excited states; Vi- further quantum brational conchemical calcns. stants

Chaudhuri, Rajat K.; Freed, Karl F.; Journal of Chemical Physics; p. 1 - 6; Art.No: 114103; Journal of Chemical Physics; vol. 126; (2007) ; (from Gmelin), View in Reaxys

Population analysis, charge distribution; Dipole moment, dipole moment derivative

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Ferreira, Marcia M. C.; Journal of Molecular Structure; vol. 294; (1993); p. 75 - 78, View in Reaxys; Marriott, Stephen; Topsom, Ronald D.; Journal of Molecular Structure; vol. 89; (1982); p. 83 - 92, View in Reaxys; Sato, Hirofumi; Sakaki, Shigeyoshi; Chemical Physics Letters; vol. 434; nb. 1-3; (2007); p. 165 - 169 ; (from Gmelin), View in Reaxys

Shielding constant

further quantum chemical calcns.

Gauss, Juergen; Stanton, John F.; Journal of Chemical Physics; vol. 104; nb. 7; (1996); p. 2574 - 2583, View in Reaxys; Rizzo, Antonio; Gauss, Juergen; Journal of Chemical Physics; vol. 116; nb. 3; (2002); p. 869 - 877, View in Reaxys; Ligabue, Andrea; Sauer, Stephan P.A.; Lazzeretti, Paolo; Journal of Chemical Physics; vol. 118; nb. 15; (2003); p. 6830 - 6845, View in Reaxys; Magyarfalvi, Gabor; Pulay, Peter; Journal of Chemical Physics; vol. 119; nb. 3; (2003); p. 1350 - 1357, View in Reaxys; Auer, Alexander; Gauss, Juergen; Stanton, John F.; Journal of Chemical Physics; vol. 118; nb. 23; (2003); p. 10407 - 10417, View in Reaxys; Christiansen, Ove; Gauss, Juergen; Stanton, John F.; Chemical Physics Letters; vol. 266; nb. 1-2; (1997); p. 53 - 60, View in Reaxys; Izmaylov, Artur F.; Staroverov, Viktor N.; Scuseria, Gustavo E.; Davidson, Ernest R.; Stoltz, Gabriel; Cances, Eric; Journal of Chemical Physics; p. 1 - 9; Art.No: 084107; Journal of Chemical Physics; vol. 126; (2007), View in Reaxys; Ligabue, Andrea; Sauer, Stephan P. A.; Lazzeretti, Paolo; Journal of Chemical Physics; p. 1 - 14; Art.No: 154111;

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Journal of Chemical Physics; vol. 126; (2007) ; (from Gmelin), View in Reaxys Correlation energy

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Suele, Peter; Gritsenko, Oleg V.; Nagy, Agnes; Baerends, Evert Jan; Journal of Chemical Physics; vol. 103; nb. 23; (1995); p. 10085 - 10094, View in Reaxys; Perdew, John P.; Ernzerhof, Matthias; Zupan, Ales; Burke, Kieron; Journal of Chemical Physics; vol. 108; nb. 4; (1998); p. 1522 - 1531, View in Reaxys; Baric, Danijela; Maksic, Zvonimir B.; Journal of Physical Chemistry A; vol. 107; nb. 51; (2003); p. 11577 - 11586, View in Reaxys; Luna; Alcami; Mo; Yanez; Chemical Physics Letters; vol. 320; nb. 1-2; (2000); p. 129 138, View in Reaxys; Liu; Suele; Lopez-Boada; Nagy; Chemical Physics Letters; vol. 257; nb. 1-2; (1996); p. 68 - 74, View in Reaxys; Suele, Peter; Chemical Physics Letters; vol. 259; (1996); p. 69 - 80, View in Reaxys; Mazziotti, David A.; Journal of Chemical Physics; p. 1 - 9; Art.No: 184101; Journal of Chemical Physics; vol. 126; (2007) ; (from Gmelin), View in Reaxys

Atom distances, angles; Population analysis, charge distribution

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Angyan, Janos G.; Loos, Michel; Mayer, Istvan; Journal of Physical Chemistry; vol. 98; nb. 20; (1994); p. 5244 - 5248, View in Reaxys; Poater; Sola; Duran; Fradera; Journal of Physical Chemistry A; vol. 105; nb. 10; (2001); p. 2052 - 2063, View in Reaxys; Aakesson, Ralf; Persson, Ingmar; Sandstroem, Magnus; Wahlgren, Ulf; Inorganic Chemistry; vol. 33; (1994); p. 3715 - 3723, View in Reaxys; Chen, Erh-Hao; Chang, Tse-Chiang; Journal of Molecular Structure: THEOCHEM; vol. 429; nb. 1-3; (1998); p. 153 - 159, View in Reaxys; Kettle, Sidney F. A.; Diana, Eliano; Boccaleri, Enrico; Stanghellini, Pier Luigi; Inorganic Chemistry; vol. 46; nb. 7; (2007); p. 2409 - 2416 ; (from Gmelin), View in Reaxys

Population analysis, charge distribution

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Carpenter, John E.; McGrath, Mark P.; Hehre, Warren J.; Journal of the American Chemical Society; vol. 111; nb. 16; (1989); p. 6154 6156, View in Reaxys; Zhang, Yongfeng; Zhou, Yaoqi; Luo, Ziping; Hanson, David M.; Journal of Physical Chemistry; vol. 96; nb. 7; (1992); p. 2949 - 2952, View in Reaxys; Alkorta, Ibon; Elguero, Jose; Foces-Foces, Concepcion; Chemical Communications; nb. 14; (1996); p. 1633 - 1634, View in Reaxys; Klamt; Jonas; Journal of Chemical Physics; vol. 105; nb. 22; (1996); p. 9972 - 9981, View in Reaxys; Kar, Tapas; Angyan, Janos G.; Sannigrahi; Journal of Physical Chemistry A; vol. 104; nb. 44; (2000); p. 9953 - 9963, View in Reaxys; Dunbar, Robert C.; Petrie, Simon; Journal of Physical Chemistry A; vol. 109; nb. 7; (2005); p. 1411 - 1419, View in Reaxys; Gussoni, M.; Ramos, M. N.; Castiglioni, C.; Zerbi, G.; Chemical Physics Letters; vol. 160; (1989); p. 200 - 205, View in Reaxys; Bochicchio, Roberto C.; Journal of Molecular Structure; vol. 228; (1991); p. 209 - 226, View in Reaxys; Bochicchio, Roberto C.; Journal of Molecular Structure; vol. 228; (1991); p. 227 - 236, View in Reaxys; Jaman, A. I.; Germann, T. C.; Gutowsky, H. S.; Augspurger, J. D.; Dykstra, C. E.; Chemical Physics; vol. 154; (1991); p. 281 - 290, View in Reaxys; Zhan, Chang-Guo; Journal of Molecular Structure; vol. 231; (1991); p. 47 - 56, View in Reaxys; Edgecombe, Kenneth E.; Boyd, Russell J.; Journal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics; vol. 83; (1987); p. 1307 - 1316, View in Reaxys; Gussoni, M.; Castiglioni, C.; Zerbi, G.; Journal of Molecular Structure; vol. 138; (1986); p. 203 - 212, View in Reaxys; Mayer, I.; Chemical Physics Letters; vol. 97; (1983); p. 270 - 274, View in Reaxys; Yan, Xinjian; Wang, Shaomeng; Hodoscek, Milan; Milne, George W. A.; Journal of Molecular Structure; vol. 309; (1994); p. 279 - 294, View in Reaxys; Chesnut; Chemical Physics; vol. 271; nb. 1-2; (2001); p. 9 - 16, View in Reaxys; Rousseau; Peeters; Van Alsenoy; Chemical Physics Letters; vol. 324; nb. 1-3; (2000); p. 189 194, View in Reaxys; Contreras; Safont; Perez; Andres; Moliner; Tapia; Journal of Molecular Structure: THEOCHEM; vol. 426; nb. 1-3; (1998); p. 277 - 288, View in Reaxys; Rohmer, Marie-Madeleine; Devemy, Jerome; Wiest, Roland; Benard, Marc; Journal of the American Chemical Society; vol. 118; nb. 51; (1996); p. 13007 13014, View in Reaxys; Francisco; Pendas, A. Martin; Blanco; Costales; Journal of Physical Chemistry A; vol. 111; nb. 48; (2007); p. 12146 - 12151 ; (from Gmelin), View in Reaxys

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Proton affinity

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Bene, Janet E. Del; Shavitt, Isaiah; Journal of Physical Chemistry; vol. 94; nb. 14; (1990); p. 5514 - 5518, View in Reaxys; Douglas, John E.; Kollman, Peter A.; Journal of the American Chemical Society; vol. 102; nb. 13; (1980); p. 4295 - 4302, View in Reaxys; Smith, Scott F.; Chandrasekhar, Jayaraman; Jorgensen, William L.; Journal of Physical Chemistry; vol. 87; nb. 11; (1983); p. 1898 1902, View in Reaxys; East, Allan L. L.; Smith, Brian J.; Radom, Leo; Journal of the American Chemical Society; vol. 119; nb. 38; (1997); p. 9014 - 9020, View in Reaxys; Del Bene, Janet E.; Elguero, Jose; Journal of Physical Chemistry A; vol. 110; nb. 23; (2006); p. 7496 - 7502, View in Reaxys; Nam, Pham-Cam; Nguyen, Minh Tho; Chandra, Asit K.; Journal of Physical Chemistry A; vol. 110; nb. 13; (2006); p. 4509 - 4515, View in Reaxys; Del Bene, Janet E.; Journal of Physical Chemistry A; vol. 111; nb. 25; (2007); p. 5509 - 5514 ; (from Gmelin), View in Reaxys

Total energy

Electron correlation and CI calcn.

Deakyne, Carol A.; Meot-Ner (Mautner), Michael; Journal of Physical Chemistry; vol. 94; nb. 1; (1990); p. 232 - 239, View in Reaxys; Luke, Brian T.; Pople, John A.; Krogh-Jespersen, Mary-Beth; Apeloig, Yitzhak; Karni, Miriam; et al.; Journal of the American Chemical Society; vol. 108; nb. 2; (1986); p. 270 - 284, View in Reaxys; Flammang, Robert; Haverbeke, Yves Van; Wong, Ming Wah; Ruehmann, Andreas; Wentrup, Curt; Journal of Physical Chemistry; vol. 98; nb. 18; (1994); p. 4814 - 4820, View in Reaxys; Martinez, Todd J.; Carter, Emily A.; Journal of Chemical Physics; vol. 102; nb. 19; (1995); p. 7564 - 7572, View in Reaxys; Wolinski, Krzysztof; Pulay, Peter; Journal of Chemical Physics; vol. 90; nb. 7; (1989); p. 3647 - 3659, View in Reaxys; Joergensen, Uffe G.; Almloef, Jan; Gustafsson, Bengt; Larsson, Mats; Siegbahn, Per; Journal of Chemical Physics; vol. 83; nb. 6; (1985); p. 3034 - 3041, View in Reaxys; Curtiss, Larry A.; Raghavachari, Krishnan; Redfern, Paul C.; Pople, John A.; Journal of Chemical Physics; vol. 106; nb. 3; (1997); p. 1063 1079, View in Reaxys; Remko; Liedl; Rode; Journal of Physical Chemistry A; vol. 102; nb. 4; (1998); p. 771 - 777, View in Reaxys; Jursic, Branko S.; Journal of Physical Chemistry A; vol. 103; nb. 12; (1999); p. 1880 - 1885, View in Reaxys; Simon, Silvia; Duran, Miquel; Dannenberg; Journal of Chemical Physics; vol. 105; nb. 24; (1996); p. 11024 - 11031, View in Reaxys; Zhu, Hong-Shun; Ho, Jia-Jen; Journal of Physical Chemistry A; vol. 105; nb. 26; (2001); p. 6543 - 6551, View in Reaxys; Nakatsuji, Hiroshi; Ehara, Masahiro; Journal of Chemical Physics; vol. 117; nb. 1; (2002); p. 9 - 12, View in Reaxys; Plummer, Patricia L. Moore; Journal of Physical Chemistry B; vol. 108; nb. 51; (2004); p. 19582 - 19588, View in Reaxys; Nakatsuji, Hiroshi; Ehara, Masahiro; Journal of Chemical Physics; vol. 122; nb. 19; (2005); Art.No: 194108, View in Reaxys; Yu, Guang-Tao; Ding, Yi-Hong; Huang, Xu-Ri; Bai, Hong-Tao; Sun, Chia-Chung; Journal of Physical Chemistry A; vol. 109; nb. 10; (2005); p. 2364 - 2372, View in Reaxys; Alcami, M.; Mo, O.; Yanez, M.; Journal of Molecular Structure; vol. 234; (1991); p. 357 - 372, View in Reaxys; Musaev, D. G.; Geskin, V. M.; Yakobson, V. V.; Charkin, O. P.; Russian Journal of Inorganic Chemistry (Translation of Zhurnal Neorganicheskoi Khimii); vol. 36; (1991); p. 1621 - 1624; Zhurnal Neorganicheskoi Khimii; vol. 36; (1991); p. 2889 - 2894, View in Reaxys; Sana, Michel; Nguyen, Minh Tho; Chemical Physics Letters; vol. 196; (1992); p. 390 - 396, View in Reaxys; Ugalde, Jesus M.; Journal of Molecular Structure; vol. 258; (1992); p. 167 - 174, View in Reaxys; Laaksonen, Aatto I.; Saunders, Victor R.; Chemical Physics Letters; vol. 95; (1983); p. 375 - 378, View in Reaxys; Leroy, G.; Riffi Temsamani, D.; Wilante, C.; Journal of Molecular Structure; vol. 306; (1994); p. 21 - 40, View in Reaxys; Marriott, Stephen; Topsom, Ronald D.; Lebrilla, Carlito B.; Koppel, Ilmar; Mishima, Masaaki; Taft, Robert W.; Journal of Molecular Structure; vol. 137; (1986); p. 133 - 142, View in Reaxys; Cooper, Ian L.; Pounder, Christopher N. M.; Journal of Chemical Physics; vol. 71; (1979); p. 957 - 960, View in Reaxys; Francisco, Joseph S.; Chemical Physics Letters; vol. 230; (1994); p. 372 - 376, View in Reaxys; Peeters, D.; Leroy, G.; Chemical Physics Letters; vol. 246; (1995); p. 481 - 487, View in Reaxys; Iglesias; Sordo; Chemical Physics Letters; vol.

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248; nb. 3-4; (1996); p. 179 - 181, View in Reaxys; Rao, V. Sreedhara; Chandra, A. K.; Chemical Physics; vol. 192; (1995); p. 247 254, View in Reaxys; So, Suk Ping; Chemical Physics Letters; vol. 270; nb. 3-4; (1997); p. 363 - 368, View in Reaxys; Jursic, Branko S.; Zdravkovski, Zoran; Journal of Molecular Structure; vol. 343; (1995); p. 149 - 156, View in Reaxys; Kuhn, Norbert; Eichele, Klaus; Steimann, Manfred; Al-Sheikh, Ahmed; Doser, Bernd; Ochsenfeld, Christian; Zeitschrift fur Anorganische und Allgemeine Chemie; vol. 632; nb. 14; (2006); p. 2268 - 2275, View in Reaxys; Vyboishchikov, Sergei F.; Salvador, Pedro; Chemical Physics Letters; vol. 430; nb. 1-3; (2006); p. 204 - 209, View in Reaxys; Salazar, Pablo F.; Seminario, Jorge M.; Journal of Physical Chemistry A; vol. 111; nb. 43; (2007); p. 11160 - 11165 ; (from Gmelin), View in Reaxys Proton affinity

Electron correlation and CI calcn.

Botschwina, Peter; Horn, Matthias; Fluegge, Joerg; Seeger, Sigrun; Journal of the Chemical Society, Faraday Transactions; vol. 89; nb. 13; (1993); p. 2219 - 2230, View in Reaxys; Smith, Brian J.; Radom, Leo; Journal of Physical Chemistry; vol. 99; nb. 17; (1995); p. 6468 - 6471, View in Reaxys; Bagno, Alessandro; Scorrano, Gianfranco; Journal of Physical Chemistry; vol. 100; nb. 5; (1996); p. 1536 - 1544, View in Reaxys; East, Allan L. L.; Smith, Brian J.; Radom, Leo; Journal of the American Chemical Society; vol. 119; nb. 38; (1997); p. 9014 - 9020, View in Reaxys; Morgon, Nelson Henrique; Journal of Physical Chemistry A; vol. 102; nb. 11; (1998); p. 2050 - 2054, View in Reaxys; Maksic, Zvonimir B.; Vianello, Robert; Journal of Physical Chemistry A; vol. 106; nb. 2; (2002); p. 419 - 430, View in Reaxys; Bene, Janet E. Del; Shavitt, Isaiah; Journal of Molecular Structure; vol. 307; (1994); p. 27 - 34, View in Reaxys; Chan, Bun; Del Bene, Janet E.; Elguero, Jose; Radom, Leo; Journal of Physical Chemistry A; vol. 109; nb. 24; (2005); p. 5509 - 5517, View in Reaxys; Fridgen, Travis D.; Journal of Physical Chemistry A; vol. 110; nb. 18; (2006); p. 6122 - 6128, View in Reaxys; Del Bene, Janet E.; Elguero, Jose; Journal of Physical Chemistry A; vol. 111; nb. 28; (2007); p. 6443 - 6448 ; (from Gmelin), View in Reaxys

Dipole moment, dipole moment derivative

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Newton et al.; Journal of Chemical Physics; vol. 53; (1970); p. 2645, View in Reaxys; Pan; Allen; Journal of Chemical Physics; vol. 46; (1967); p. 1797, View in Reaxys; Bruns; Person; Journal of Chemical Physics; vol. 53; (1970); p. 1413, View in Reaxys; Gey et al.; Journal of Molecular Structure; vol. 3; (1969); p. 21, View in Reaxys; Li, Jiabo; Zhu, Tianhai; Cramer, Christopher J.; Truhlar, Donald G.; Journal of Physical Chemistry A; vol. 102; nb. 10; (1998); p. 1820 - 1831, View in Reaxys; Ho, Minhhuy; Clark, B. James; Smith Jr., Vedene H.; Weaver, Donald F.; Gatti, Carlo; Sagar, Robin P.; Esquivel, Rodolfo O.; Journal of Chemical Physics; vol. 112; nb. 17; (2000); p. 7572 - 7580, View in Reaxys; Fiacco; Mo; Hunt; Ott; Roberts; Leopold; Journal of Physical Chemistry A; vol. 105; nb. 2; (2001); p. 484 - 493, View in Reaxys; Mo, Yirong; Gao, Jiali; Journal of Physical Chemistry A; vol. 105; nb. 26; (2001); p. 6530 - 6536, View in Reaxys; Scemama, Anthony; Chaquin, Patrick; Gazeau, Marie-Claire; Benilan, Yves; Journal of Physical Chemistry A; vol. 106; nb. 15; (2002); p. 3828 - 3837, View in Reaxys; Rivelino, Roberto; Chaudhuri, Puspitapallab; Canuto, Sylvio; Journal of Chemical Physics; vol. 118; nb. 23; (2003); p. 10593 - 10601, View in Reaxys; Sindelka; Spirko; Jungwirth; Wang; Mahalakshmi; Jordan; Journal of Chemical Physics; vol. 121; nb. 4; (2004); p. 1824 - 1829, View in Reaxys; Whitten, Andrew E.; Radford, Christopher J.; McKinnon, Joshua J.; Spackman, Mark A.; Journal of Chemical Physics; vol. 124; nb. 7; (2006); Art.No: 074106, View in Reaxys; Spackman, Mark A.; Munshi, Parthapratim; Jayatilaka, Dylan; Chemical Physics Letters; vol. 443; nb. 1-3; (2007); p. 87 - 91, View in Reaxys; Bonaccorsi, R.; Scrocco, E.; Tomasi, J.; Journal of Chemical Physics; vol. 50; (1969); p. 2940 - 2948, View in Reaxys; McLean, A. D.; Yoshimine, M.; IBM J. Res. Dev.; vol. 12; (1968); p. 206 - 233, View in Reaxys; Peters, D.; Journal of the Chemical Society; (1963); p. 2015 - 2023, View in Reaxys; vol. C: MVol.D1; 15.4.26, page 162 - 167, View in Reaxys; McLean, A. D.; Yoshimine, M.; laut M. Krauss Natl. Bur. Std. (U.S.) Tech. Note Nr. 438 (1967) 1/139, 67, View in Reaxys; Panas, Itai; Chemical

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Physics Letters; vol. 194; (1992); p. 239 - 246, View in Reaxys; Vul'fov, A. L.; Mestechkin, M. M.; Theoretical and Experimental Chemistry; vol. 26; (1990); p. 455 - 459; Teoreticheskaya i Eksperimental'naya Khimiya; vol. 26; (1990); p. 481 - 485, View in Reaxys; Bak, Keld L.; Gauss, Juergen; Helgaker, Trygve; Jorgensen, Poul; Olsen, Jeppe; Chemical Physics Letters; vol. 319; nb. 5-6; (2000); p. 563 - 568, View in Reaxys; Botschwina, Peter; Chemical Physics; vol. 81; (1983); p. 73 - 86, View in Reaxys; Haese, Nathan N.; Chemical Physics Letters; vol. 88; (1982); p. 166 - 170, View in Reaxys; Pettitt, Brian A.; Boyd, Russell J.; Edgecombe, Kenneth E.; Chemical Physics Letters; vol. 89; (1982); p. 478 - 482, View in Reaxys; Rashin, A. A.; Young, L.; Topol, I. A.; Burt, S. K.; Chemical Physics Letters; vol. 230; (1994); p. 182 - 188, View in Reaxys; Fortunelli, Alessandro; Journal of Molecular Structure; vol. 357; (1995); p. 117 - 124, View in Reaxys; Fridgen, Travis D.; Journal of Physical Chemistry A; vol. 110; nb. 18; (2006); p. 6122 - 6128, View in Reaxys; Hesselmann; Manby; Journal of Chemical Physics; vol. 123; nb. 16; (2005); Art.No: 164116, View in Reaxys; Dunlap, Brett I.; Karna, Shashi P.; Zope, Rajendra R.; Journal of Chemical Physics; p. 1 - 9; Art.No: 214104; Journal of Chemical Physics; vol. 125; (2006) ; (from Gmelin), View in Reaxys Total energy; Difurther quantum pole moment, di- chemical calcns. pole moment derivative; Atom distances, angles

Kollmar, Christian; Journal of Chemical Physics; vol. 125; nb. 8; (2006); Art.No: 084108 ; (from Gmelin), View in Reaxys

Ionization poten- Electron correlatial, orbital enertion and CI calcn. gy; Electron affinity

Torrent-Sucarrat, Miquel; Geerlings, Paul; Journal of Chemical Physics; p. 1 - 7; Art.No: 244101; Journal of Chemical Physics; vol. 125; (2006) ; (from Gmelin), View in Reaxys

Total energy; Dipole moment, dipole moment derivative

Sathyan, N.; Santhanam, V.; Sobhanadri, J.; Journal of Molecular Structure; vol. 333; (1995); p. 179 - 190, View in Reaxys; Kollmar, Christian; Journal of Chemical Physics; vol. 125; nb. 8; (2006); Art.No: 084108 ; (from Gmelin), View in Reaxys

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Total energy; DiElectron correlapole moment, di- tion and CI calcn. pole moment derivative; Atom distances, angles

Pichierri, Fabio; Chemical Physics Letters; vol. 353; nb. 5-6; (2002); p. 383 - 388, View in Reaxys; Kollmar, Christian; Journal of Chemical Physics; vol. 125; nb. 8; (2006); Art.No: 084108 ; (from Gmelin), View in Reaxys

Dissociation enerfurther quantum gy, bonding ener- chemical calcns. gy

Irikura, Karl K.; Journal of Physical Chemistry A; vol. 102; nb. 45; (1998); p. 9031 - 9039, View in Reaxys; Fast, Patton L.; Corchado, Jose; Sanchez, Maria Luz; Truhlar, Donald G.; Journal of Physical Chemistry A: Molecules, Spectroscopy, Kinetics, Environment, & General Theory; vol. 103; nb. 17; (1999); p. 3139 - 3143, View in Reaxys; Bak, Keld L.; Jorgensen, Poul; Olsen, Jeppe; Helgaker, Trygve; Klopper, Wim; Journal of Chemical Physics; vol. 112; nb. 21; (2000); p. 9229 - 9242, View in Reaxys; Skurski, Piotr; Gutowski, Maciej; Simons, Jack; Journal of Chemical Physics; vol. 114; nb. 17; (2001); p. 7443 - 7449, View in Reaxys; Chong, Delano P.; Hu, Ching-Han; Duffy, Patrick; Chemical Physics Letters; vol. 249; nb. 5-6; (1996); p. 491 - 495, View in Reaxys; Wood, Geoffrey P. F.; Radom, Leo; Petersson, George A.; Barnes, Ericka C.; Frisch, Michael J.; Montgomery Jr., John A.; Journal of Chemical Physics; vol. 125; nb. 9; (2006); Art.No: 094106 ; (from Gmelin), View in Reaxys

Dissociation ener- Electron correlagy, bonding enertion and CI calcn. gy

Murray, Christopher W.; Handy, Nicholas C.; Journal of Chemical Physics; vol. 97; nb. 9; (1992); p. 6509 - 6516, View in Reaxys; Ochterski, Joseph W.; Petersson, George A.; Wiberg, Kenneth B.; Journal of the American Chemical Society; vol. 117; nb. 45; (1995); p. 11299 - 11308, View in Reaxys; Ochterski, Joseph W.; Petersson; Montgomery Jr.; Journal of Chemical Physics; vol. 104; nb. 7; (1996); p. 2598 - 2619, View in Reaxys; Montgomery Jr.; Frisch; Ochterski; Petersson; Journal of Chemical Physics; vol. 110; nb. 6; (1999); p. 2822 - 2827, View in Reaxys; Fast, Patton L.; Corchado, Jose; Sanchez, Maria Luz; Truhlar, Donald G.; Journal of Physical

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Chemistry A: Molecules, Spectroscopy, Kinetics, Environment, & General Theory; vol. 103; nb. 17; (1999); p. 3139 - 3143, View in Reaxys; Espinosa-Garcia, J.; Corchado, J. C.; Chemical Physics Letters; vol. 218; (1994); p. 128 - 132, View in Reaxys; Tozer, David J.; Handy, Nicholas C.; Amos, Roger D.; Molecular Physics; vol. 79; (1993); p. 777 - 794, View in Reaxys; Lignell, Antti; Khriachtchev, Leonid; Lundell, Jan; Tanskanen, Hanna; Raesaenen, Markku; Journal of Chemical Physics; p. 1 - 3; Art.No: 184514; Journal of Chemical Physics; vol. 125; (2006) ; (from Gmelin), View in Reaxys Electronegativity

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Cioslowski, Jerzy; Mixon, Stacey T.; Journal of the American Chemical Society; vol. 115; nb. 3; (1993); p. 1084 - 1088, View in Reaxys; Lipinski, Jozef; Komorowski, Ludwik; Chemical Physics Letters; vol. 262; nb. 3-4; (1996); p. 449 - 454, View in Reaxys; Jaganyi; Mzinyati; Polyhedron; vol. 25; nb. 14; (2006); p. 2730 - 2736 ; (from Gmelin), View in Reaxys

Vibrational constants

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Sun, Qiyan; Bowman, Joel M.; Journal of Chemical Physics; vol. 92; nb. 9; (1990); p. 5201 - 5210, View in Reaxys; De Almeida, Wagner B.; Canadian Journal of Chemistry; vol. 69; nb. 12; (1991); p. 2044 - 2052, View in Reaxys; Bentley, Joseph A.; Huang, ChangMing; Wyatt, Robert E.; Journal of Chemical Physics; vol. 98; nb. 7; (1993); p. 5207 - 5221, View in Reaxys; Peterson, Peter E.; AbuOmar, Mahdi; Johnson, Thomas W.; Parham, Ricky; Goldin, Dennis; et al.; Journal of Physical Chemistry; vol. 99; nb. 16; (1995); p. 5927 - 5933, View in Reaxys; Beichert, P.; Pfeiler, D.; Knoezinger, E.; Berichte der Bunsen-Gesellschaft; vol. 99; nb. 12; (1995); p. 1469 - 1478, View in Reaxys; Feller, David; Peterson, Kirk A.; Journal of Chemical Physics; vol. 108; nb. 1; (1998); p. 154 - 176, View in Reaxys; Tokmakov; Moskaleva; Paschenko; Lin; Journal of Physical Chemistry A; vol. 107; nb. 7; (2003); p. 1066 - 1076, View in Reaxys; Ruden, Torgeir A.; Lutnaes, Ola B.; Helgaker, Trygve; Ruud, Kenneth; Journal of Chemical Physics; vol. 118; nb. 21; (2003); p. 9572 - 9581, View in Reaxys; Dalosto, Sergio D.; Vanderkooi, Jane M.; Sharp, Kim A.; Journal of Physical Chemistry B; vol. 108; nb. 20; (2004); p. 6450 - 6457, View in Reaxys; McCoy, Anne B.; Chemical Physics Letters; vol. 293; nb. 1-2; (1998); p. 103 - 109, View in Reaxys; Malaspina; Fileti; Riveros; Canuto; Journal of Physical Chemistry A; vol. 110; nb. 34; (2006); p. 10303 - 10308 ; (from Gmelin), View in Reaxys

Dissociation ener- Ab initio calcns. gy, bonding ener- (LCAO, GO SCF, gy DIM, SAMO, X-alpha, HartreeFock)

Gazquez, Jose L.; Journal of Physical Chemistry A; vol. 101; nb. 49; (1997); p. 9464 - 9469, View in Reaxys; Fast, Patton L.; Truhlar, Donald G.; Journal of Physical Chemistry A; vol. 103; nb. 20; (1999); p. 3802 - 3803, View in Reaxys; Vyboishchikov, Sergei F.; Salvador, Pedro; Duran, Miquel; Journal of Chemical Physics; vol. 122; nb. 24; (2005); Art.No: 244110, View in Reaxys; Leroy, G.; Sana, M.; Journal of Molecular Structure; vol. 179; (1988); p. 237 - 248, View in Reaxys; Curtiss, L. A.; Raghavachari, K.; Pople, J. A.; Chemical Physics Letters; vol. 214; (1993); p. 183 - 185, View in Reaxys; Kraka, Elfi; Chemical Physics; vol. 161; (1992); p. 149 - 154, View in Reaxys; Pulfer, Mark; Hu, Ching-Han; Chong, Delano P.; Chemical Physics; vol. 216; nb. 1-2; (1997); p. 91 - 98, View in Reaxys; Casarin, Maurizio; Maccato, Chiara; Tondello, Eugenio; Vittadini, Andrea; Surface Science; vol. 343; (1995); p. 115 - 132, View in Reaxys; Villamena, Frederick A.; Merle, John K.; Hadad, Christopher M.; Zweier, Jay L.; Journal of Physical Chemistry A; vol. 109; nb. 27; (2005); p. 6083 - 6088, View in Reaxys; Wiener, John J.M.; Politzer, Peter; Journal of Molecular Structure: THEOCHEM; vol. 427; nb. 1-3; (1998); p. 171 174, View in Reaxys; Lignell, Antti; Khriachtchev, Leonid; Lundell, Jan; Tanskanen, Hanna; Raesaenen, Markku; Journal of Chemical Physics; p. 1 - 3; Art.No: 184514; Journal of Chemical Physics; vol. 125; (2006) ; (from Gmelin), View in Reaxys

Total energy

Nguyen, Thanh Lam; Nguyen, Minh Tho; Journal of Chemical Physics; vol. 110; nb. 1; (1999); p. 684 - 686, View in Reaxys; Manten; Luechow; Journal of Chemical Physics; vol. 115; nb. 12; (2001); p. 5362 - 5366, View in Reaxys; Ma; Towler; Drummond; Needs; Journal of Chemical Physics; vol. 122; nb. 22; (2005); Art.No: 224322, View in Reaxys; Yu, Guang-Tao; Ding, Yi-Hong;

further quantum chemical calcns.

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Huang, Xu-Ri; Bai, Hong-Tao; Sun, Chia-Chung; Journal of Physical Chemistry A; vol. 109; nb. 10; (2005); p. 2364 - 2372, View in Reaxys; Bomble, Yannick J.; Stanton, John F.; Kallay, Mihaly; Gauss, Juergen; Journal of Chemical Physics; vol. 123; nb. 5; (2005); Art.No: 054101, View in Reaxys; Komasa, Jacek; Szalewicz, Krzysztof; Leszczynski, Jerzy; Chemical Physics Letters; vol. 285; nb. 5-6; (1998); p. 449 - 454, View in Reaxys; Pichierri, Fabio; Chemical Physics Letters; vol. 353; nb. 5-6; (2002); p. 383 388, View in Reaxys; Botschwina; Horn; Matuschewski; Schick; Sebald; Journal of Molecular Structure: THEOCHEM; vol. 400; nb. 1-3; (1997); p. 119 - 137, View in Reaxys; Seminario, Jorge M.; Maffei, Martha G.; Agapito, Luis A.; Salazar, Pablo F.; Journal of Physical Chemistry A; vol. 110; nb. 3; (2006); p. 1060 - 1064 ; (from Gmelin), View in Reaxys Vibrational constants

further quantum chemical calcns.

Smith, R. Scott; Shirts, Randall B.; Journal of Chemical Physics; vol. 89; nb. 5; (1988); p. 2948 - 2957, View in Reaxys; Simandiras, Emmanuel D.; Rice, Julia E.; Lee, Timothy J.; Amos, Roger D.; Handy, Nicholas C.; Journal of Chemical Physics; vol. 88; nb. 5; (1988); p. 3187 - 3195, View in Reaxys; Feller, David; Peterson, Kirk A.; Journal of Chemical Physics; vol. 108; nb. 1; (1998); p. 154 176, View in Reaxys; Isaacson, Alan D.; Journal of Chemical Physics; vol. 117; nb. 19; (2002); p. 8778 - 8786, View in Reaxys; Gribov; Pavlyuchko; Lozenko; Journal of applied spectroscopy; vol. 36; nb. 1; (1982); p. 75 - 80, View in Reaxys; Isaacson, Alan D.; Journal of Physical Chemistry A; vol. 110; nb. 2; (2006); p. 379 - 388 ; (from Gmelin), View in Reaxys

Vibrational constants; Potential energy function, potential curve

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Varandas; Rodrigues; Journal of Physical Chemistry A; vol. 110; nb. 2; (2006); p. 485 - 493 ; (from Gmelin), View in Reaxys

Population analysis, charge distribution; Vibrational constants

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Kettle, Sidney F. A.; Aschero, Gian Luca; Diana, Eliano; Rossetti, Rosanna; Stanghellini, Pier Luigi; Inorganic Chemistry; vol. 45; nb. 13; (2006); p. 4928 - 4937 ; (from Gmelin), View in Reaxys

Dipole moment, dipole moment derivative

Other semi-empirical calcns. (Hueckel, PPP)

Bruns; Person; Journal of Chemical Physics; vol. 53; (1970); p. 1413, View in Reaxys; Haiduke; De Oliveira; Bruns; Journal of Physical Chemistry A; vol. 108; nb. 32; (2004); p. 6788 - 6796, View in Reaxys; Whitten, Andrew E.; Radford, Christopher J.; McKinnon, Joshua J.; Spackman, Mark A.; Journal of Chemical Physics; vol. 124; nb. 7; (2006); Art.No: 074106, View in Reaxys; Bloor, J. E.; Breen, D. L.; Journal of Physical Chemistry; vol. 72; (1968); p. 716 - 722, View in Reaxys; Nicholson, B. J.; Advan. Chem. Phys.; vol. 18; (1970); p. 249 - 312, View in Reaxys; Segal, G. A.; Klein, M. L.; Journal of Chemical Physics; vol. 47; (1967); p. 4236 - 4240, View in Reaxys; Sichel, J. M.; Whitehead, M. A.; Theoretica Chimica Acta; vol. 11; (1968); p. 254 - 262, View in Reaxys; vol. C: MVol.D1; 15.4.26, page 162 - 167, View in Reaxys; Hehre, W. J.; Stewart, R. F.; Pople, J. A.; Symp. Faraday Soc. Nr. 2 (1968) 15/22 ; (from Gmelin), View in Reaxys

Vibrational constants; IR bands, intensities, transition moments

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Ho, Yen-Peng; Yang, Yu-Chuan; Klippenstein, Stephen J.; Dunbar, Robert C.; Journal of Physical Chemistry; vol. 99; nb. 32; (1995); p. 12115 - 12124, View in Reaxys; Guennoun; CouturierTamburelli; Combes; Aycard; Pietri; Journal of Physical Chemistry A; vol. 109; nb. 51; (2005); p. 11733 - 11741, View in Reaxys; Guennoun, Zohra; Pietri, Nathalie; Couturier-Tamburelli, Isabelle; Aycard, Jean-Pierre; Journal of Physical Chemistry A; vol. 109; nb. 37; (2005); p. 8299 - 8305, View in Reaxys; Oliveira; Pereira; de Araujo; Ramos; Chemical Physics Letters; vol. 427; nb. 1-3; (2006); p. 181 - 184 ; (from Gmelin), View in Reaxys

Excited states

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Bacic, Z.; Gerber, R. B.; Ratner, M. A.; Journal of Physical Chemistry; vol. 90; (1986); p. 3606 - 3612, View in Reaxys; Rappoport, Dmitrij; Furche, Filipp; Journal of Chemical Physics; vol. 122; nb. 6; (2005); Art.No: 064105 ; (from Gmelin), View in Reaxys

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Ionization poten- Electron correlatial, orbital energy tion and CI calcn.

Luna; Mebel; Morokuma; Journal of Chemical Physics; vol. 105; nb. 8; (1996); p. 3187 - 3205, View in Reaxys; Otto, P.; Reif, H.; Hernandez-Laguna, A.; Journal of Molecular Structure; vol. 340; (1995); p. 51 - 62, View in Reaxys; Kuramoto, Kei; Ehara, Masahiro; Nakatsuji, Hiroshi; Journal of Chemical Physics; vol. 122; nb. 1; (2005); Art.No: 014304 ; (from Gmelin), View in Reaxys

Atom distances, further quantum angles; Vibration- chemical calcns. al constants; IR bands, intensities, transition moments

Baeck, Kyoung K.; Watts, John D.; Bartlett, Rodney J.; Journal of Chemical Physics; vol. 107; nb. 10; (1997); p. 3853 - 3863, View in Reaxys; Botschwina, Peter; Oswald, Rainer; Zeitschrift fur Physikalische Chemie; vol. 219; nb. 3; (2005); p. 399 - 420 ; (from Gmelin), View in Reaxys

Population analysis, charge distribution; Dipole moment, dipole moment derivative; IR bands, intensities, transition moments

Electron correlation and CI calcn.

Haiduke, Roberto L.A.; Bruns, Roy E.; Journal of Physical Chemistry A; vol. 109; nb. 11; (2005); p. 2680 - 2688 ; (from Gmelin), View in Reaxys

Transition energies; Atom distances, angles; Excited states; Vibrational constants; Dissociation energy, bonding energy

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Nayak, Malaya K.; Chaudhuri, Rajat K.; Krishnamachari; Journal of Chemical Physics; vol. 122; nb. 18; (2005); Art.No: 184323 ; (from Gmelin), View in Reaxys

Dipole moment, dipole moment derivative; Rotational constants

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Nayak, Malaya K.; Chaudhuri, Rajat K.; Krishnamachari; Journal of Chemical Physics; vol. 122; nb. 18; (2005); Art.No: 184323 ; (from Gmelin), View in Reaxys

Contour map; Molecular orbitals; Electronic energy levels

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Balawender, Robert; Geerlings, Paul; Journal of Chemical Physics; vol. 123; nb. 12; (2005); Art.No: 124103 ; (from Gmelin), View in Reaxys

Dipole moment, dipole moment derivative

Electron correlation and CI calcn.

Novak, Igor; Zeitschrift fuer Physikalische Chemie (Muenchen, Germany); vol. 167; nb. 2; (1990); p. 251 - 254, View in Reaxys; Liu, Shi-yi; Dykstra, Clifford E.; Journal of Physical Chemistry; vol. 91; nb. 7; (1987); p. 1749 - 1754, View in Reaxys; Romanini, Daniele; Lehmann, Kevin K.; Journal of Chemical Physics; vol. 105; nb. 1; (1996); p. 68 - 80, View in Reaxys; Li, Jiabo; Zhu, Tianhai; Cramer, Christopher J.; Truhlar, Donald G.; Journal of Physical Chemistry A; vol. 102; nb. 10; (1998); p. 1820 - 1831, View in Reaxys; Haiduke; De Oliveira; Bruns; Journal of Physical Chemistry A; vol. 108; nb. 32; (2004); p. 6788 - 6796, View in Reaxys; Botschwina, Peter; Chemical Physics; vol. 81; (1983); p. 73 - 86, View in Reaxys; Fortunelli, Alessandro; Journal of Molecular Structure; vol. 357; (1995); p. 117 - 124, View in Reaxys; Sánchez, Marina; Provasi, Patricio F.; Aucar, Gustavo A.; Alkorta, Ibon; Elguero, Jose; Journal of Physical Chemistry B; vol. 109; nb. 38; (2005); p. 18189 18194 ; (from Gmelin), View in Reaxys

Dipole moment, dipole moment derivative; Atom distances, angles

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Cioslowski, Jerzy; Martinov, Martin; Journal of Chemical Physics; vol. 103; nb. 12; (1995); p. 4967 - 4974, View in Reaxys; Sánchez, Marina; Provasi, Patricio F.; Aucar, Gustavo A.; Alkorta, Ibon; Elguero, Jose; Journal of Physical Chemistry B; vol. 109; nb. 38; (2005); p. 18189 - 18194 ; (from Gmelin), View in Reaxys

Ionization potential, orbital energy; Electron affinity

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Nath, S.; Sannigrahi, A. B.; Chattaraj, P. K.; Journal of Molecular Structure; vol. 306; (1994); p. 87 - 90, View in Reaxys; Tozer, David J.; De Proft, Frank; Journal of Physical Chemistry A; vol. 109; nb. 39; (2005); p. 8923 - 8929 ; (from Gmelin), View in Reaxys

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Total energy; Electronic energy levels; Molecular orbitals; Atom distances, angles; Quadrupole moment

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Hesselmann; Manby; Journal of Chemical Physics; vol. 123; nb. 16; (2005); Art.No: 164116 ; (from Gmelin), View in Reaxys

Atom distances, angles; Total energy; Fine/ hyper fine coupling constants

Electron correlation and CI calcn.

Provasi, Patricio F.; Aucar, Gustavo A.; Sanchez, Marina; Alkorta, Ibon; Elguero, Jose; Sauer, Stephan P. A.; Journal of Physical Chemistry A; vol. 109; nb. 29; (2005); p. 6555 - 6564 ; (from Gmelin), View in Reaxys

Ionization poten- Ab initio calcns. tial, orbital energy (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Palke; Lipscomb; Journal of the American Chemical Society; vol. 88; (1966); p. 2384, View in Reaxys; McLean; Journal of Chemical Physics; vol. 37; (1962); p. 627, View in Reaxys; Vondel, D. F. Van de; Wijinsberghe, F. Van; D'Heer, J.; Kelen, G. P. Van der; Bulletin des Societes Chimiques Belges; vol. 101; nb. 3; (1992); p. 179 - 186, View in Reaxys; Burrow, P. D.; Howard, A. E.; Johnston, A. R.; Jordan, K. D.; Journal of Physical Chemistry; vol. 96; nb. 19; (1992); p. 7570 - 7578, View in Reaxys; De Oliveira, Anselmo E.; Guadagnini, Paulo H.; Haiduke, Roberto L. A.; Bruns, Roy E.; Journal of Physical Chemistry A; vol. 103; nb. 25; (1999); p. 4918 - 4924, View in Reaxys; Chong, Delano P.; Aplincourt, Philippe; Bureau, Christophe; Journal of Physical Chemistry A; vol. 106; nb. 2; (2002); p. 356 - 362, View in Reaxys; Maksic, Zvonimir B.; Vianello, Robert; Journal of Physical Chemistry A; vol. 106; nb. 2; (2002); p. 419 430, View in Reaxys; Newton, M. D.; Boer, F. P.; Lipscomb, W. N.; Journal of the American Chemical Society; vol. 88; (1966); p. 2353 2360, View in Reaxys; Roche, M.; Pujol, L.; Comptes Rendus des Seances de l'Academie des Sciences, Serie C: Sciences Chimiques; vol. 270; (1970); p. 1384 - 1386, View in Reaxys; vol. C: MVol.D1; 15.5.16, page 175 - 178, View in Reaxys; Dixon, David A.; Arduengo, Anthony J.; Inorganic Chemistry; vol. 29; (1990); p. 970 - 975, View in Reaxys; Hu, Ching-Han; Chong, Delano P.; Casida, Mark E.; Journal of Electron Spectroscopy and Related Phenomena; vol. 85; nb. 1-2; (1997); p. 39 - 46, View in Reaxys; Hamel, Sebastien; Duffy, Patrick; Casida, Mark E.; Salahub, Dennis R.; Journal of Electron Spectroscopy and Related Phenomena; vol. 123; nb. 2-3; (2002); p. 345 - 363, View in Reaxys; Walch, Stephen P.; Bakes; Chemical Physics Letters; vol. 346; nb. 3-4; (2001); p. 267 - 273, View in Reaxys; Botschwina; Horn; Matuschewski; Schick; Sebald; Journal of Molecular Structure: THEOCHEM; vol. 400; nb. 1-3; (1997); p. 119 - 137, View in Reaxys; Weinhold; Journal of Molecular Structure: THEOCHEM; vol. 398-399; (1997); p. 181 - 197, View in Reaxys; Leiva; Piris; Journal of Chemical Physics; vol. 123; nb. 21; (2005); Art.No: 214102 ; (from Gmelin), View in Reaxys

Ionization poten- further quantum tial, orbital energy chemical calcns.

Pan; Allen; Journal of Chemical Physics; vol. 46; (1967); p. 1797, View in Reaxys; Moffat, J. B.; Canadian Journal of Chemistry; vol. 45; (1967); p. 655 - 663, View in Reaxys; Peters, D.; Journal of Chemical Physics; vol. 45; (1966); p. 3474 - 3475, View in Reaxys; Peters, D.; Journal of the Chemical Society [Section] A: Inorganic, Physical, Theoretical; (1964); p. 2901 - 2907, View in Reaxys; Peters, D.; Journal of the Chemical Society [Section] A: Inorganic, Physical, Theoretical; (1964); p. 2908 - 2916, View in Reaxys; Peters, D.; Journal of the Chemical Society [Section] A: Inorganic, Physical, Theoretical; (1966); p. 644 - 651, View in Reaxys; vol. C: MVol.D1; 15.5.16, page 175 - 178, View in Reaxys; Palacios, Alicia; Corral, Ins; Mo, Otilia; Martin, Fernando; Yaez, Manuel; Journal of Chemical Physics; vol. 123; nb. 1; (2005); Art.No: 014315, View in Reaxys; Leiva; Piris; Journal of Chemical Physics; vol. 123; nb. 21; (2005); Art.No: 214102 ; (from Gmelin), View in Reaxys

Population analysis, charge distribution; Total energy

Holland; Powis; Karlsson; Trofimov; Schirmer; Von Niessen; Chemical Physics; vol. 297; nb. 1-3; (2004); p. 55 - 73 ; (from Gmelin), View in Reaxys

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

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Atom distances, angles; Dipole moment, dipole moment derivative; Rotational constants

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Rhee, Soon Ki; Kim, Seung Hoon; Lee, Sik; Lee, Jin Yong; Chemical Physics; vol. 297; nb. 1-3; (2004); p. 21 - 29 ; (from Gmelin), View in Reaxys

Atom distances, angles; Dipole moment, dipole moment derivative; Rotational constants

Electron correlation and CI calcn.

Rhee, Soon Ki; Kim, Seung Hoon; Lee, Sik; Lee, Jin Yong; Chemical Physics; vol. 297; nb. 1-3; (2004); p. 21 - 29 ; (from Gmelin), View in Reaxys

Polarizability, polarizability derivatives; Shielding constant; Fine/ hyper fine coupling constants

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Watson, Mark A.; Handy, Nicholas C.; Cohen, Aron J.; Helgaker, Trygve; Journal of Chemical Physics; vol. 120; nb. 16; (2004); p. 7252 - 7261 ; (from Gmelin), View in Reaxys

Fine/ hyper fine coupling constants

further quantum chemical calcns.

Del Bene, Janet E.; Elguero, Jose; Alkorta, Ibon; Journal of Physical Chemistry A; vol. 108; nb. 16; (2004); p. 3662 - 3667 ; (from Gmelin), View in Reaxys

Dipole moment, dipole moment derivative; Electron affinity

further quantum chemical calcns.

Sindelka; Spirko; Jungwirth; Wang; Mahalakshmi; Jordan; Journal of Chemical Physics; vol. 121; nb. 4; (2004); p. 1824 - 1829 ; (from Gmelin), View in Reaxys

Atom distances, angles; Population analysis, charge distribution

Electron correlation and CI calcn.

Alkorta, Ibon; Elguero, Jose; Journal of Physical Chemistry; vol. 100; nb. 50; (1996); p. 19367 - 19370, View in Reaxys; Kolandaivel, Ponmalai; Nirmala; Journal of Molecular Structure; vol. 694; nb. 1-3; (2004); p. 33 - 38 ; (from Gmelin), View in Reaxys

Equilibrium internuclear distance; Vibrational constants

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Gerenkamp, Mareike; Grimme, Stefan; Chemical Physics Letters; vol. 392; nb. 1-3; (2004); p. 229 - 235 ; (from Gmelin), View in Reaxys

Equilibrium internuclear distance; Vibrational constants

Electron correlation and CI calcn.

Bair, Raymond A.; Dunning, Thom. H.; Journal of Chemical Physics; vol. 82; nb. 5; (1985); p. 2280 - 2294, View in Reaxys; Gerenkamp, Mareike; Grimme, Stefan; Chemical Physics Letters; vol. 392; nb. 1-3; (2004); p. 229 - 235 ; (from Gmelin), View in Reaxys

Magnetic susceptibility

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Okovytyy, Sergjy I.; Voronkov, Eugene O.; Rossikhin, Vladimir V.; Balalayev, Olexander K.; Leszczynski, Jerzy; Journal of Physical Chemistry A; vol. 108; nb. 22; (2004); p. 4930 - 4933 ; (from Gmelin), View in Reaxys

Atom distances, angles; Atomization energy

further quantum chemical calcns.

Mintz, Benjamin; Lennox, Kristin P.; Wilson, Angela K.; Journal of Chemical Physics; vol. 121; nb. 12; (2004); p. 5629 - 5634 ; (from Gmelin), View in Reaxys

Atom distances, angles; Atomization energy

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Lee, Chengteh; Sosa, Carlos; Journal of Chemical Physics; vol. 100; nb. 12; (1994); p. 9018 - 9024, View in Reaxys; Tsuneda, Takao; Suzumura, Toshihisa; Hirao, Kimihiko; Journal of Chemical Physics; vol. 110; nb. 22; (1999); p. 10664 - 10678, View in Reaxys; Rodgers, Jocelyn M.; Fast, Patton L.; Truhlar, Donald G.; Journal of Chemical Physics; vol. 112; nb. 7; (2000); p. 3141 - 3147, View in Reaxys; Wang, Nick X.; Wilson, Angela K.; Journal of Chemical Physics; vol. 121; nb. 16; (2004); p. 7632 - 7646, View in Reaxys; Adamo; Barone; Chemical Physics Letters; vol. 274; nb. 1-3; (1997); p. 242 - 250 ; (from Gmelin), View in Reaxys

Transition energies

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Sakai, Shogo; Nguyen, Minh Tho; Journal of Physical Chemistry A; vol. 108; nb. 42; (2004); p. 9169 - 9179 ; (from Gmelin), View in Reaxys

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IR bands, intensities, transition moments; Force constant; Atom distances, angles; Vibrational constants

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Kurita, Eiichi; Matsuura, Hiroatsu; Ohno, Keiichi; Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy; vol. 60; nb. 13; (2004); p. 3013 - 3023 ; (from Gmelin), View in Reaxys

Correlation energy; Atomization energy; Atom distances, angles

Electron correlation and CI calcn.

Jung, Yousung; Lochan, Rohini C.; Dutoi, Anthony D.; HeadGordon, Martin; Journal of Chemical Physics; vol. 121; nb. 20; (2004); p. 9793 - 9802 ; (from Gmelin), View in Reaxys

Total energy; Atomization energy; Atom distances, angles

further quantum chemical calcns.

Tajti, Attila; Szalay, Peter G.; Csaszar, Attila G.; Kallay, Mihaly; Gauss, Juergen; Valeev, Edward F.; Flowers, Bradley A.; Vazquez, Juana; Stanton, John F.; Journal of Chemical Physics; vol. 121; nb. 23; (2004); p. 11599 - 11613; Art.No: 15 ; (from Gmelin), View in Reaxys

Equilibrium internuclear distance; Atomization energy

further quantum chemical calcns.

Lu, Shih-I.; Journal of Chemical Physics; vol. 121; nb. 21; (2004); p. 10365 - 10369 ; (from Gmelin), View in Reaxys

Atom distances, angles; Total energy

Electron correlation and CI calcn.

Stoeckigt, Detlef; Holthausen, Max C.; Koch, Wolfram; Schwarz, Helmut; Journal of Physical Chemistry; vol. 99; nb. 16; (1995); p. 5950 - 5955, View in Reaxys; Rao, V. Sreedhara; Vijay, Amrendra; Chandra; Canadian Journal of Chemistry; vol. 74; nb. 6; (1996); p. 1072 - 1077, View in Reaxys; Martin, J. M. L.; Taylor, Peter R.; Chemical Physics Letters; vol. 209; (1993); p. 143 - 150, View in Reaxys; Holland; Powis; Karlsson; Trofimov; Schirmer; Von Niessen; Chemical Physics; vol. 297; nb. 1-3; (2004); p. 55 73 ; (from Gmelin), View in Reaxys

Atom distances, angles; Population analysis, charge distribution

Semi-empirical NDO calcns. (CNDO, INDO, MINDO, PCILO)

Nandel, Fateh S.; Jain, Dharam V. S.; Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical & Analytical; vol. 25; nb. 6; (1986); p. 571 - 573, View in Reaxys; Tokmachev, Andrei M.; Tchougreeff, Andrei L.; Journal of Physical Chemistry A; vol. 107; nb. 3; (2003); p. 358 - 365, View in Reaxys; Raabe, Gerhard; Schleker, Wolfgang; Strassburger, Wolfgang; Heyne, Eberhard; Fleischhauer, Joerg; Zeitschrift fuer Naturforschung, Teil A: Physik, Physikalische Chemie, Kosmophysik; vol. 42; (1987); p. 1027 1036 ; (from Gmelin), View in Reaxys

IR bands, intensities, transition moments

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

McCoy, Anne B.; Sibert, Edwin L.; Journal of Chemical Physics; vol. 95; nb. 5; (1991); p. 3488 - 3493, View in Reaxys; Anex, Deon S.; Davidson, Ernest R.; Douketis, Constantine; Ewing, George E.; Journal of Physical Chemistry; vol. 92; (1988); p. 2913 - 2925, View in Reaxys; Person, Willis B.; Brown, Kenneth G.; Steele, D.; Peters, D.; Journal of Physical Chemistry; vol. 85; nb. 14; (1981); p. 1998 - 2007, View in Reaxys; Stanton, John F.; Lipscomb, William N.; Magers, David H.; Bartlett, Rodney J.; Journal of Chemical Physics; vol. 90; nb. 6; (1989); p. 3241 - 3249, View in Reaxys; Rivelino, Roberto; Canuto, Sylvio; Journal of Physical Chemistry A; vol. 105; nb. 50; (2001); p. 11260 - 11265, View in Reaxys; Robertson, Evan G.; McNaughton, Don; Journal of Physical Chemistry A; vol. 107; nb. 5; (2003); p. 642 - 650, View in Reaxys; Almeida, W. B. de; Craw, J. S.; Hinchliffe, Alan; Journal of Molecular Structure; vol. 200; (1989); p. 19 - 32, View in Reaxys; Nguyen, Minh Tho; Chemical Physics Letters; vol. 157; (1989); p. 430 - 435 ; (from Gmelin), View in Reaxys

Wave function; Potential energy function, potential curve

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Lee, Hee-Seung; Light, John C.; Journal of Chemical Physics; vol. 118; nb. 8; (2003); p. 3458 - 3469 ; (from Gmelin), View in Reaxys

Molecular orbitals; Electronic energy levels; Total energy

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Mineva; Sicilia; Russo; Journal of the American Chemical Society; vol. 120; nb. 35; (1998); p. 9053 - 9058, View in Reaxys; Hong, Gong-Yi; Hu, Xiangqian; Wang, Fan; Li, Le-Min; Chemical Physics; vol. 290; nb. 2-3; (2003); p. 163 - 170 ; (from Gmelin), View in Reaxys

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Total energy; Atomization energy; Dipole moment, dipole moment derivative

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Lu, Shih-I; Journal of Chemical Physics; vol. 118; nb. 21; (2003); p. 9528 - 9532 ; (from Gmelin), View in Reaxys

NMR shifts, signals, intensities, transition moments; Band structure; Shielding constant

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Poater, Jordi; Van Lenthe, Erik; Baerends, Evert Jan; Journal of Chemical Physics; vol. 118; nb. 19; (2003); p. 8584 - 8593 ; (from Gmelin), View in Reaxys

Polarizability, polarizability derivatives

further quantum chemical calcns.

Packer, Martin J.; Sauer, Stephan P. A.; Oddershede, Jens; Journal of Chemical Physics; vol. 100; nb. 12; (1994); p. 8969 - 8975, View in Reaxys; Rizzo, Antonio; Ruud, Kenneth; Helgaker, Trygve; Salek, Pawel; Agren, Hans; Vahtras, Olav; Chemical Physics Letters; vol. 372; nb. 3-4; (2003); p. 377 - 385 ; (from Gmelin), View in Reaxys

Polarizability, polarizability derivatives

Electron correlation and CI calcn.

Cabaleiro-Lago, Enrique M.; Rios, Miguel A.; Journal of Chemical Physics; vol. 108; nb. 9; (1998); p. 3598 - 3607, View in Reaxys; Chipot, Christophe; Dehez, Francois; Angyan, Janos; Millot, Claude; Orozco; Luque, F. Javier; Journal of Physical Chemistry A; vol. 105; nb. 51; (2001); p. 11505 - 11514, View in Reaxys; Rizzo, Antonio; Ruud, Kenneth; Helgaker, Trygve; Salek, Pawel; Agren, Hans; Vahtras, Olav; Chemical Physics Letters; vol. 372; nb. 3-4; (2003); p. 377 - 385 ; (from Gmelin), View in Reaxys

Vibrational constants; Atom distances, angles; Dipole moment, dipole moment derivative; Polarizability, polarizability derivatives

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Brewer, Scott H.; Franzen, Stefan; Journal of Chemical Physics; vol. 119; nb. 2; (2003); p. 851 - 858 ; (from Gmelin), View in Reaxys

NMR shifts, signals, intensities, transition moments; Shielding constant

Relativistic calcns.

Filatov, Michael; Cremer, Dieter; Journal of Chemical Physics; vol. 119; nb. 2; (2003); p. 701 - 712 ; (from Gmelin), View in Reaxys

Polarizability, polarizability derivatives

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Stout, Joyce M.; Dykstra, Clifford E.; Journal of the American Chemical Society; vol. 117; nb. 18; (1995); p. 5127 - 5132, View in Reaxys; Jameson, Cynthia J.; Fowler, P. W.; Journal of Chemical Physics; vol. 85; nb. 6; (1986); p. 3432 - 3436, View in Reaxys; Calaminici; Jug; Koester; Journal of Chemical Physics; vol. 109; nb. 18; (1998); p. 7756 - 7763, View in Reaxys; Raeymaekers, Paul; Figeys, Hubert P.; Geerlings, Paul; Molecular Physics; vol. 65; (1988); p. 945 - 960, View in Reaxys; Grant, A. J.; Pickup, B. T.; Chemical Physics Letters; vol. 174; (1990); p. 523 530, View in Reaxys; Hudis, J. A.; Ditchfield, R.; Chemical Physics; vol. 86; (1984); p. 455 - 470, View in Reaxys; Rizzo, Antonio; Ruud, Kenneth; Helgaker, Trygve; Salek, Pawel; Agren, Hans; Vahtras, Olav; Chemical Physics Letters; vol. 372; nb. 3-4; (2003); p. 377 - 385 ; (from Gmelin), View in Reaxys

Population analysis, charge distribution

Electron correlation and CI calcn.

Carpenter, John E.; McGrath, Mark P.; Hehre, Warren J.; Journal of the American Chemical Society; vol. 111; nb. 16; (1989); p. 6154 6156, View in Reaxys; De Oliveira, Anselmo E.; Guadagnini, Paulo H.; Haiduke, Roberto L. A.; Bruns, Roy E.; Journal of Physical Chemistry A; vol. 103; nb. 25; (1999); p. 4918 - 4924, View in Reaxys; Poater; Sola; Duran; Fradera; Journal of Physical Chemistry A; vol. 105; nb. 10; (2001); p. 2052 - 2063, View in Reaxys; Rozas; Alkorta; Elguero; Journal of the American Chemical Society; vol. 122; nb. 45; (2000); p. 11154 - 11161, View in Reaxys; Torre, Alicia; Lain, Luis; Bochicchio, Roberto; Journal of Physical Chemistry A; vol. 107; nb. 1; (2003); p. 127 - 130, View in Reaxys; Yan, Xinjian; Wang, Shaomeng; Hodoscek, Milan; Milne, George W. A.; Journal of Molecular Structure; vol. 309;

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(1994); p. 279 - 294, View in Reaxys; Rousseau; Peeters; Van Alsenoy; Chemical Physics Letters; vol. 324; nb. 1-3; (2000); p. 189 194, View in Reaxys; De Proft, Frank; Martin, Jan M.L.; Geerlings, Paul; Chemical Physics Letters; vol. 250; nb. 3-4; (1996); p. 393 401 ; (from Gmelin), View in Reaxys Ionization potential, orbital energy; Electronic energy levels; Molecular orbitals

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Gritsenko; Braida; Baerends; Journal of Chemical Physics; vol. 119; nb. 4; (2003); p. 1937 - 1950 ; (from Gmelin), View in Reaxys

Contour map; Population analysis, charge distribution

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Nalewajski, Roman F.; Broniatowska, Elzbieta; Journal of Physical Chemistry A; vol. 107; nb. 32; (2003); p. 6270 - 6280, View in Reaxys; Laidig, Keith E.; Chemical Physics Letters; vol. 225; (1994); p. 285 - 292 ; (from Gmelin), View in Reaxys

Atom distances, angles; Wave function; Vibrational constants; Vibrational amplitudes; Excited states

further quantum chemical calcns.

Koehn, Andreas; Haettig, Christof; Journal of Chemical Physics; vol. 119; nb. 10; (2003); p. 5021 - 5036 ; (from Gmelin), View in Reaxys

Atomization energy

Other semi-empirical calcns. (Hueckel, PPP)

Clementi, Enrico; Chakravorty, Subhas J.; Journal of Chemical Physics; vol. 93; nb. 4; (1990); p. 2591 - 2602, View in Reaxys; Dunlap, Brett I.; Journal of Physical Chemistry A; vol. 107; nb. 47; (2003); p. 10082 - 10089 ; (from Gmelin), View in Reaxys

Dipole moment, dipole moment derivative; Polarizability, polarizability derivatives; Quadrupole moment

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Petrie, Simon; Journal of Physical Chemistry A; vol. 107; nb. 48; (2003); p. 10441 - 10449 ; (from Gmelin), View in Reaxys

Shielding constant

Electron correlation and CI calcn.

Cybulski, Slawomir M.; Bishop, David M.; Journal of Chemical Physics; vol. 98; nb. 10; (1993); p. 8057 - 8064, View in Reaxys; Fukui, H.; Baba, T.; Matsuda, H.; Miura, K.; Journal of Chemical Physics; vol. 100; nb. 9; (1994); p. 6608 - 6613, View in Reaxys; Rizzo, Antonio; Helgaker, Trygve; Ruud, Kenneth; Barszczewicz, Andrzej; Jaszunski, Michal; Joergensen, Poul; Journal of Chemical Physics; vol. 102; nb. 22; (1995); p. 8953 - 8966, View in Reaxys; Sundholm, Dage; Journal of the American Chemical Society; vol. 117; nb. 46; (1995); p. 11523 - 11528, View in Reaxys; Gauss, Juergen; Stanton, John F.; Journal of Chemical Physics; vol. 104; nb. 7; (1996); p. 2574 - 2583, View in Reaxys; Ligabue, Andrea; Sauer, Stephan P.A.; Lazzeretti, Paolo; Journal of Chemical Physics; vol. 118; nb. 15; (2003); p. 6830 - 6845, View in Reaxys; Auer, Alexander; Gauss, Juergen; Stanton, John F.; Journal of Chemical Physics; vol. 118; nb. 23; (2003); p. 10407 - 10417, View in Reaxys; Galasso, V.; Journal of Molecular Structure; vol. 93; (1983); p. 201 206, View in Reaxys; Gauss, Juergen; Chemical Physics Letters; vol. 229; (1994); p. 198 - 203 ; (from Gmelin), View in Reaxys

NMR shifts, signals, intensities, transition moments

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Gauss, Juergen; Journal of Chemical Physics; vol. 99; nb. 5; (1993); p. 3629 - 3643, View in Reaxys; Chesnut, D. B.; Phung, C. G.; Journal of Chemical Physics; vol. 91; nb. 10; (1989); p. 6238 6245, View in Reaxys; Chesnut, D. B.; Foley, C. K.; Journal of Chemical Physics; vol. 84; nb. 2; (1986); p. 852 - 861, View in Reaxys; Cheeseman, James R.; Journal of Chemical Physics; vol. 104; nb. 14; (1996); p. 5497 - 5509, View in Reaxys; Olsson, Lars; Cremer, Dieter; Journal of Chemical Physics; vol. 105; nb. 20; (1996); p. 8995 - 9006, View in Reaxys; Patchkovskii; Autschbach; Ziegler; Journal of Chemical Physics; vol. 115; nb. 1; (2001); p. 26 - 42, View in Reaxys; Lantto, Perttu; Vaara, Juha; Helgaker, Trygve; Journal of Chemical Physics; vol. 117; nb. 13; (2002); p. 5998 - 6009, View in Reaxys; Rohlfing, Celeste McMichael; Allen, Leland C.; Ditchfield, Robert; Chemical Physics; vol. 87; (1984); p. 9 - 16, View in Reaxys; Wilson, Philip J.; Tozer, Da-

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vid J.; Chemical Physics Letters; vol. 337; nb. 4-6; (2001); p. 341 348, View in Reaxys; Allen, Mark J.; Keal, Thomas W.; Tozer, David J.; Chemical Physics Letters; vol. 380; nb. 1-2; (2003); p. 70 77 ; (from Gmelin), View in Reaxys Total energy; Atom distances, angles; Dipole moment, dipole moment derivative; Vibrational constants

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Lee, Timothy J.; Journal of the American Chemical Society; vol. 111; nb. 19; (1989); p. 7362 - 7371, View in Reaxys; Galabov, Boris; Yamaguchi, Yukio; Remington, Richard B.; Schaefer III, Henry F.; Journal of Physical Chemistry A; vol. 106; nb. 5; (2002); p. 819 832 ; (from Gmelin), View in Reaxys

Total energy; Atom distances, angles; Dipole moment, dipole moment derivative; Vibrational constants

further quantum chemical calcns.

Galabov, Boris; Yamaguchi, Yukio; Remington, Richard B.; Schaefer III, Henry F.; Journal of Physical Chemistry A; vol. 106; nb. 5; (2002); p. 819 - 832 ; (from Gmelin), View in Reaxys

Total energy; Atom distances, angles; Dipole moment, dipole moment derivative; Vibrational constants

Electron correlation and CI calcn.

Molecular orbitals; Electronic energy levels; Ionization potential, orbital energy

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Chong; Gritsenko; Baerends; Journal of Chemical Physics; vol. 116; nb. 5; (2002); p. 1760 - 1772 ; (from Gmelin), View in Reaxys

Vibrational constants; Atom distances, angles; Excited states

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Giertz; Borve; Baessler; Wiesner; Svensson; Karlsson; Saethre; Chemical Physics; vol. 277; nb. 1; (2002); p. 83 - 90 ; (from Gmelin), View in Reaxys

Molecular orbitals

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Pan; Allen; Journal of Chemical Physics; vol. 46; (1967); p. 1797, View in Reaxys; De Luca; Sicilia; Russo; Mineva; Journal of the American Chemical Society; vol. 124; nb. 7; (2002); p. 1494 - 1499, View in Reaxys; Miertus, S.; Frecer, V.; Majekova, M.; Journal of Molecular Structure; vol. 179; (1988); p. 353 - 366, View in Reaxys; vol. C: MVol.D1; 15.4.26, page 162 - 167, View in Reaxys; Kharabaev, N. N.; Sov. J. Coord. Chem. (Engl. Transl.); vol. 17; (1991); p. 231 - 237; Koordinatsionnaya Khimiya; vol. 17; (1991); p. 435 - 442, View in Reaxys; Ye, Shi-Yong; Zhan, Chang-Guo; Wan, Jian; Zhang, Chang-Jun; Journal of Molecular Structure; vol. 313; (1994); p. 231 - 236 ; (from Gmelin), View in Reaxys

IR bands, intensities, transition moments; Dipole moment, dipole moment derivative; Band structure

further quantum chemical calcns.

Harris, Gregory J.; Polyansky, Oleg L.; Tennyson, Jonathan; Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy; vol. 58; nb. 4; (2002); p. 673 - 690 ; (from Gmelin), View in Reaxys

Rotational-vibrational constants; Equilibrium internuclear distance

further quantum chemical calcns.

Pawowski, Filip; Jorgensen, Poul; Olsen, Jeppe; Hegelund, Flemming; Helgaker, Trygve; Gauss, Juergen; Bak, Keld L.; Stanton, John F.; Journal of Chemical Physics; vol. 116; nb. 15; (2002); p. 6482 - 6496 ; (from Gmelin), View in Reaxys

Total energy; Dipole moment, dipole moment derivative; Atom distances, angles

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Pichierri, Fabio; Chemical Physics Letters; vol. 353; nb. 5-6; (2002); p. 383 - 388 ; (from Gmelin), View in Reaxys

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2018-01-18 00:45:07

Atom distances, angles; Potential energy function, potential curve

Semi-empirical NDO calcns. (CNDO, INDO, MINDO, PCILO)

Gonzalez, Javier; Gimenez, Xavier; Bofill, Josep Maria; Journal of Chemical Physics; vol. 116; nb. 20; (2002); p. 8713 - 8722 ; (from Gmelin), View in Reaxys

Potential energy function, potential curve; Atom distances, angles; Dissociation energy, bonding energy

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Musaev, D. G.; Yakobson, V. V.; Charkin, O. P.; Journal of Structural Chemistry; vol. 32; nb. 2; (1991); p. 161 - 168; Zhurnal Strukturnoi Khimii; vol. 32; nb. 2; (1991); p. 3 - 11, View in Reaxys; Hasbani; Ostojic; Bunker; Ivanov; Journal of Chemical Physics; vol. 116; nb. 24; (2002); p. 10636 - 10640 ; (from Gmelin), View in Reaxys

Shielding constant; Magnetic susceptibility

Electron correlation and CI calcn.

Janowski, Tomasz; Wolinski, Krzysztof; Journal of Chemical Physics; vol. 117; nb. 5; (2002); p. 1994 - 2002 ; (from Gmelin), View in Reaxys

Rotational-vibrational constants; Potential energy function, potential curve

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Xu, Dingguo; Xie, Daiqian; Guo, Hua; Journal of Chemical Physics; vol. 116; nb. 24; (2002); p. 10626 - 10635 ; (from Gmelin), View in Reaxys

Atom distances, Electron correlaangles; Population and CI calcn. tion analysis, charge distribution; Vibrational constants; IR bands, intensities, transition moments

Alkorta, Ibon; Elguero, Jose; Mo, Otilia; Yanez, Manuel; Del Bene, Janet E.; Journal of Physical Chemistry A; vol. 106; nb. 40; (2002); p. 9325 - 9330 ; (from Gmelin), View in Reaxys

Atom distances, angles; Dipole moment, dipole moment derivative

Electron correlation and CI calcn.

Rivelino, Roberto; Ludwig, Valdemir; Rissi, Eduardo; Canuto, Sylvio; Journal of Molecular Structure; vol. 615; nb. 1-3; (2002); p. 257 - 266, View in Reaxys; Gutowski, MacIej; Skurski, Piotr; Chemical Physics Letters; vol. 300; nb. 3-4; (1999); p. 331 - 338 ; (from Gmelin), View in Reaxys

Atom distances, angles; Total energy; Population analysis, charge distribution

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Shubina; Bakhmutova; Filin; Sivaev; Teplitskaya; Chistyakov; Stankevich; Bakhmutov; Bregadze; Epstein; Journal of Organometallic Chemistry; vol. 657; nb. 1-2; (2002); p. 155 - 162 ; (from Gmelin), View in Reaxys

Total energy; Dipole moment, dipole moment derivative; Shielding constant

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Kupka, Teobald; Ruscic, Branko; Botto, Robert E.; Journal of Physical Chemistry A; vol. 106; nb. 43; (2002); p. 10396 - 10407 ; (from Gmelin), View in Reaxys

Dipole moment, Electron correladipole moment tion and CI calcn. derivative; Shielding constant

Kupka, Teobald; Ruscic, Branko; Botto, Robert E.; Journal of Physical Chemistry A; vol. 106; nb. 43; (2002); p. 10396 - 10407 ; (from Gmelin), View in Reaxys

Contour map; Atom distances, angles; Potential energy function, potential curve; IR bands, intensities, transition moments; Excited states

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Xu, Dingguo; Xie, Daiqian; Guo, Hua; Journal of Physical Chemistry A; vol. 106; nb. 43; (2002); p. 10174 - 10183 ; (from Gmelin), View in Reaxys

Excited states; Atom distances, angles; IR bands, intensities, transition moments

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Furche, Filipp; Ahlrichs, Reinhart; Journal of Chemical Physics; vol. 117; nb. 16; (2002); p. 7433 - 7447 ; (from Gmelin), View in Reaxys

246/296

2018-01-18 00:45:07

Excited states; Atom distances, angles; IR bands, intensities, transition moments

Electron correlation and CI calcn.

Furche, Filipp; Ahlrichs, Reinhart; Journal of Chemical Physics; vol. 117; nb. 16; (2002); p. 7433 - 7447 ; (from Gmelin), View in Reaxys

Excited states; Dipole moment, dipole moment derivative

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Jakubetz; Lan; Journal of Chemical Physics; vol. 117; nb. 17; (2002); p. 7968 - 7979 ; (from Gmelin), View in Reaxys

Atomization energy; Atom distances, angles

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Adamo, Carlo; Barone, Vincenzo; Journal of Chemical Physics; vol. 110; nb. 13; (1999); p. 6158 - 6170, View in Reaxys; Cohen, Aron J.; Handy, Nicholas C.; Journal of Chemical Physics; vol. 117; nb. 4; (2002); p. 1470 - 1478, View in Reaxys; Neumann, Ralf; Handy, Nicholas C.; Chemical Physics Letters; vol. 266; nb. 1-2; (1997); p. 16 - 22 ; (from Gmelin), View in Reaxys

Atom distances, angles

Valence bond calcns.

Byrd, Edward F.C.; Van Voorhis, Troy; Head-Gordon, Martin; Journal of Physical Chemistry B; vol. 106; nb. 33; (2002); p. 8070 8077, View in Reaxys; Wang, Youliang; Poirier, Raymond A.; Journal of Molecular Structure; vol. 340; (1995); p. 1 - 14 ; (from Gmelin), View in Reaxys

Atom distances, angles; Potential energy function, potential curve; Total energy

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Chandra, Asit K.; Uchimaru, Tadafumi; Journal of Physical Chemistry A; vol. 105; nb. 14; (2001); p. 3578 - 3582 ; (from Gmelin), View in Reaxys

Total energy; Vibrational constants; Atom distances, angles

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Hadjebar; Nait Achour; Boucekkine; Berthier; Chemical Physics; vol. 264; nb. 2; (2001); p. 153 - 161 ; (from Gmelin), View in Reaxys

Total energy; Vibrational constants; Atom distances, angles

Electron correlation and CI calcn.

Vincent, Mark A.; Hillier, Ian H.; Journal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics; vol. 85; (1989); p. 1827 - 1830, View in Reaxys; Hadjebar; Nait Achour; Boucekkine; Berthier; Chemical Physics; vol. 264; nb. 2; (2001); p. 153 - 161 ; (from Gmelin), View in Reaxys

Equilibrium internuclear distance

further quantum chemical calcns.

Bak, Keld L.; Gauss, Juergen; Jorgensen, Poul; Olsen, Jeppe; Helgaker, Trygve; Stanton, John F.; Journal of Chemical Physics; vol. 114; nb. 15; (2001); p. 6548 - 6556 ; (from Gmelin), View in Reaxys

Atom distances, angles; Vibrational constants; Heat capacity cp, cv

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Jug; Janetzko; Koester; Journal of Chemical Physics; vol. 114; nb. 13; (2001); p. 5472 - 5481 ; (from Gmelin), View in Reaxys

Atom distances, Electron correlaangles; Dissocia- tion and CI calcn. tion energy, bonding energy

Skurski, Piotr; Gutowski, Maciej; Simons, Jack; Journal of Chemical Physics; vol. 114; nb. 17; (2001); p. 7443 - 7449 ; (from Gmelin), View in Reaxys

NMR shifts, signals, intensities, transition moments

Electron correlation and CI calcn.

Wilson, Philip J.; Tozer, David J.; Chemical Physics Letters; vol. 337; nb. 4-6; (2001); p. 341 - 348 ; (from Gmelin), View in Reaxys

Dipole moment, dipole moment derivative; Excited states; Electronic energy levels

further quantum chemical calcns.

Bowman, Joel M.; Irle, Stephan; Morokuma, Keiji; Wodtke, Alec; Journal of Chemical Physics; vol. 114; nb. 18; (2001); p. 7923 7934 ; (from Gmelin), View in Reaxys

Total energy; Dipole moment, dipole moment de-

Electron correlation and CI calcn.

Sokalski, W. A.; Sawaryn, A.; Journal of Chemical Physics; vol. 87; nb. 1; (1987); p. 526 - 534, View in Reaxys; Moore; Ishiguro; Oude-

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2018-01-18 00:45:07

rivative; Quadrupole moment

jans; Miller; Journal of Chemical Physics; vol. 115; nb. 11; (2001); p. 5137 - 5143 ; (from Gmelin), View in Reaxys

Atom distances, further quantum angles; Polariza- chemical calcns. bility, polarizability derivatives; Population analysis, charge distribution

Wang; Jordan; Journal of Chemical Physics; vol. 114; nb. 24; (2001); p. 10717 - 10724 ; (from Gmelin), View in Reaxys

Atom distances, angles; Polarizability, polarizability derivatives; Population analysis, charge distribution

Wang; Jordan; Journal of Chemical Physics; vol. 114; nb. 24; (2001); p. 10717 - 10724 ; (from Gmelin), View in Reaxys

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Equilibrium inter- further quantum nuclear distance; chemical calcns. Total energy; Vibrational constants; Rotationalvibrational constants; Potential energy function, potential curve

Van Mourik, Tanja; Harris, Gregory J.; Polyansky, Oleg L.; Tennyson, Jonathan; Csaszar, Attila G.; Knowles, Peter J.; Journal of Chemical Physics; vol. 115; nb. 8; (2001); p. 3706 - 3718 ; (from Gmelin), View in Reaxys

Atom distances, angles; Barrier of internal rotation

Electron correlation and CI calcn.

Potential energy function, potential curve

Relativistic calcns.

Dipole moment, dipole moment derivative; Dissociation energy, bonding energy

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Chong, Delano P.; Journal of Chemical Physics; vol. 103; nb. 5; (1995); p. 1842 - 1845, View in Reaxys; Skurski, Piotr; Gutowski, Maciej; Simons, Jack; Journal of Chemical Physics; vol. 114; nb. 17; (2001); p. 7443 - 7449 ; (from Gmelin), View in Reaxys

Contour map; Equilibrium internuclear distance; Vibrational constants

Electron correlation and CI calcn.

Xu, Dingguo; Xie, Daiqian; Guo, Hua; Chemical Physics Letters; vol. 345; nb. 5-6; (2001); p. 517 - 524 ; (from Gmelin), View in Reaxys

Electronegativity; Population analysis, charge distribution

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Safi, Bennasser; Balawender, Robert; Geerlings, Paul; Journal of Physical Chemistry A; vol. 105; nb. 49; (2001); p. 11102 - 11109 ; (from Gmelin), View in Reaxys

Population analysis, charge distribution; Dipole moment, dipole moment derivative; Atom distances, angles

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Masunov, Artem; Dannenberg; Contreras, Ruben H.; Journal of Physical Chemistry A; vol. 105; nb. 19; (2001); p. 4737 - 4740 ; (from Gmelin), View in Reaxys

Atom distances, angles; Shielding constant

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Wilson; Bradley; Tozer; Journal of Chemical Physics; vol. 115; nb. 20; (2001); p. 9233 - 9242 ; (from Gmelin), View in Reaxys

Total energy; Atom distances, angles

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-al-

Hirao, K.; Yamabe, S.; Sano, M.; Journal of Physical Chemistry; vol. 86; nb. 14; (1982); p. 2626 - 2632, View in Reaxys; Packer, Martin J.; Sauer, Stephan P. A.; Oddershede, Jens; Journal of Chemical

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pha, HartreeFock)

Physics; vol. 100; nb. 12; (1994); p. 8969 - 8975, View in Reaxys; Jursic, Branko S.; Journal of the Chemical Society - Faraday Transactions; vol. 93; nb. 14; (1997); p. 2355 - 2359, View in Reaxys; Tozer, David J.; Handy, Nicholas C.; Journal of Chemical Physics; vol. 108; nb. 6; (1998); p. 2545 - 2555, View in Reaxys; Liu, Jian-Jun; Feng, Ji-Kang; Ding, Yi-Hong; Ren, Ai-Min; Wang, Su-Fan; Sun, Chia-Chung; Kong, Fan-Ao; Journal of Physical Chemistry A; vol. 105; nb. 24; (2001); p. 5885 - 5895, View in Reaxys; Peeters, D.; Leroy, G.; Chemical Physics Letters; vol. 246; (1995); p. 481 - 487, View in Reaxys; Jursic, Branko S.; Chemical Physics Letters; vol. 256; nb. 1-2; (1996); p. 213 - 219 ; (from Gmelin), View in Reaxys

IR bands, intensities, transition moments

further quantum chemical calcns.

McCoy, Anne B.; Sibert, Edwin L.; Journal of Chemical Physics; vol. 95; nb. 5; (1991); p. 3476 - 3487, View in Reaxys; Romanini, Daniele; Lehmann, Kevin K.; Journal of Chemical Physics; vol. 105; nb. 1; (1996); p. 68 - 80, View in Reaxys; Van Mourik, Tanja; Harris, Gregory J.; Polyansky, Oleg L.; Tennyson, Jonathan; Csaszar, Attila G.; Knowles, Peter J.; Journal of Chemical Physics; vol. 115; nb. 8; (2001); p. 3706 - 3718, View in Reaxys; Gwaltney, Steven R.; Bartlett, Rodney J.; Journal of Chemical Physics; vol. 99; (1993); p. 3151 - 3152 ; (from Gmelin), View in Reaxys

Atom distances, angles; Total energy

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Pople; Raghavachari; Frisch; Binkley; Schleyer; Journal of the American Chemical Society; vol. 105; nb. 21; (1983); p. 6389 - 6398, View in Reaxys; Lee, Chengteh; Fitzgerald, George; Yang, Weitao; Journal of Chemical Physics; vol. 98; nb. 4; (1993); p. 2971 2974, View in Reaxys; Tsutsui, Yuko; Sugimoto, Ken-Ichi; Wasada, Hiroaki; Inada, Yasuhiro; Funahashi, Shigenobu; Journal of Physical Chemistry A; vol. 101; nb. 15; (1997); p. 2900 - 2905, View in Reaxys; Sola, Miquel; Toro-Labbe, Alejandro; Journal of Physical Chemistry A; vol. 103; nb. 44; (1999); p. 8847 - 8852, View in Reaxys; Juan, J. de; Callister, S.; Reisler, H.; Segal, G. A.; Wittig, C.; Journal of Chemical Physics; vol. 89; (1988); p. 1977 1985, View in Reaxys; Boyd, Russell J.; Choi, Sai Cheng; Chemical Physics Letters; vol. 120; (1985); p. 80 - 85, View in Reaxys; Boutreau; Leon; Luna; Toulhoat; Tortajada; Chemical Physics Letters; vol. 338; nb. 1; (2001); p. 74 - 82, View in Reaxys; Luna; Amekraz; Tortajada; Chemical Physics Letters; vol. 266; nb. 1-2; (1997); p. 31 - 37, View in Reaxys; Sannigrahi, Mousumi; Grein, Friedrich; Journal of Molecular Structure: THEOCHEM; vol. 389; nb. 1-2; (1997); p. 129 - 138, View in Reaxys; Dorschner, R.; Kaufmann, G.; Inorganica Chimica Acta; vol. 23; (1977); p. 97 - 102 ; (from Gmelin), View in Reaxys

Wave function; Oscillator strength, transition probability; Excited states

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Christoffel, Kurt M.; Bowman, Joel M.; Journal of Chemical Physics; vol. 112; nb. 10; (2000); p. 4496 - 4505 ; (from Gmelin), View in Reaxys

Shielding confurther quantum stant; Polarizabili- chemical calcns. ty, polarizability derivatives

Caputo; Ferraro; Lazzeretti; Journal of Chemical Physics; vol. 112; nb. 14; (2000); p. 6141 - 6151 ; (from Gmelin), View in Reaxys

Atom distances, angles; Potential energy function, potential curve; Excited states

Electron correlation and CI calcn.

Barbosa, E. Soares; McCarroll; Grozdanov; Rosmus; European Physical Journal D; vol. 10; nb. 2; (2000); p. 225 - 231 ; (from Gmelin), View in Reaxys

Dipole moment, dipole moment derivative; Quadrupole moment; Polarizability, polarizability derivatives

Electron correlation and CI calcn.

Petrie, Simon; Dunbar, Robert C.; Journal of Physical Chemistry A; vol. 104; nb. 19; (2000); p. 4480 - 4488 ; (from Gmelin), View in Reaxys

Dipole moment, Ab initio calcns. dipole moment (LCAO, GO SCF, derivative; IR DIM, SAMO, X-albands, intensities,

Kim; King; Journal of Chemical Physics; vol. 71; (1979); p. 1967, View in Reaxys; Miller, Michael D.; Jensen, Frank; Chapman, O. L.; Houk, K. L.; Journal of Physical Chemistry; vol. 93; (1989); p. 4495 - 4502, View in Reaxys; De Oliveira, Anselmo E.; Haiduke,

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2018-01-18 00:45:07

transition moments

pha, HartreeFock)

Roberto L. A.; Bruns, Roy E.; Journal of Physical Chemistry A; vol. 104; nb. 22; (2000); p. 5320 - 5327 ; (from Gmelin), View in Reaxys

Atomization energy; Dissociation energy, bonding energy

further quantum chemical calcns.

Martin, Jan M. L.; Sundermann, Andreas; Fast, Patton L.; Truhlar, Donald G.; Journal of Chemical Physics; vol. 113; nb. 4; (2000); p. 1348 - 1358 ; (from Gmelin), View in Reaxys

Atomization energy; Dissociation energy, bonding energy

Electron correlation and CI calcn.

Martin, Jan M. L.; Sundermann, Andreas; Fast, Patton L.; Truhlar, Donald G.; Journal of Chemical Physics; vol. 113; nb. 4; (2000); p. 1348 - 1358 ; (from Gmelin), View in Reaxys

NQR quadrupole splitting

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Kern; Karplus; Journal of Chemical Physics; vol. 42; (1965); p. 1062, View in Reaxys; Gerber, Stefan; Huber, Hanspeter; Journal of Molecular Spectroscopy; vol. 134; (1989); p. 168 - 175, View in Reaxys; Bonaccorsi, R.; Scrocco, E.; Tomasi, J.; Journal of Chemical Physics; vol. 50; (1969); p. 2940 - 2948, View in Reaxys; McLean, A. D.; Yoshimine, M.; IBM J. Res. Dev.; vol. 12; (1968); p. 206 - 233, View in Reaxys; O'Konski, C. T.; Ha, T.-K.; Journal of Chemical Physics; vol. 49; (1968); p. 5354 - 5361, View in Reaxys; vol. C: MVol.D1; 15.4.26, page 162 - 167, View in Reaxys; Bailey, William C.; Chemical Physics; vol. 252; nb. 1-2; (2000); p. 57 - 66 ; (from Gmelin), View in Reaxys

Transition energies; Electronic energy levels; Vibrational constants

further quantum chemical calcns.

Sugny, Dominique; Joyeux, Marc; Sibert III, Edwin L.; Journal of Chemical Physics; vol. 113; nb. 17; (2000); p. 7165 - 7177 ; (from Gmelin), View in Reaxys

Potential energy function, potential curve; Contour map

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Umeda, Hiroaki; Fujimura, Yuichi; Journal of Chemical Physics; vol. 113; nb. 9; (2000); p. 3510 - 3518 ; (from Gmelin), View in Reaxys

Population analysis, charge distribution

further quantum chemical calcns.

Cioslowski, J.; Journal of the American Chemical Society; vol. 111; nb. 22; (1989); p. 8333 - 8336, View in Reaxys; Buckingham, A. D.; Fowler, P. W.; Journal of Molecular Structure; vol. 189; (1988); p. 203 - 210, View in Reaxys; Fuster, Franck; Silvi, Bernard; Chemical Physics; vol. 252; nb. 3; (2000); p. 279 - 287 ; (from Gmelin), View in Reaxys

Total energy; Molecular orbitals; Electronic energy levels; Population analysis, charge distribution

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Gogonea, Valentin; Westerhoff, Lance M.; Merz Jr., Kenneth M.; Journal of Chemical Physics; vol. 113; nb. 14; (2000); p. 5604 5613 ; (from Gmelin), View in Reaxys

Total energy; Molecular orbitals; Electronic energy levels; Population analysis, charge distribution

Empirical methods

Gogonea, Valentin; Westerhoff, Lance M.; Merz Jr., Kenneth M.; Journal of Chemical Physics; vol. 113; nb. 14; (2000); p. 5604 5613 ; (from Gmelin), View in Reaxys

Electric field gradient; Electron affinity; Polarizability, polarizability derivatives

Electron correlation and CI calcn.

Coriani, Sonia; Halkier, Asger; Jorgensen, Poul; Gauss, Juergen; Christiansen, Ove; Rizzo, Antonio; Journal of Chemical Physics; vol. 113; nb. 5; (2000); p. 1688 - 1697 ; (from Gmelin), View in Reaxys

Atomization energy; Vibrational constants

further quantum chemical calcns.

Adamo, Carlo; Ernzerhof, Matthias; Scuseria, Gustavo E.; Journal of Chemical Physics; vol. 112; nb. 6; (2000); p. 2643 - 2649 ; (from Gmelin), View in Reaxys

Dipole moment, dipole moment derivative

further quantum chemical calcns.

Rein, R.; Fukuda, N.; Win, H.; Clarke, G. A.; Harris, F. E.; Journal of Chemical Physics; vol. 45; (1966); p. 4743 - 4744, View in Reaxys; vol. C: MVol.D1; 15.4.26, page 162 - 167, View in Reaxys; Sagarik, Kritsana P.; Pongpituk, Vilaval; Chaiyapongs, Supaporn; Sisot, Phittaya; Chemical Physics; vol. 156; (1991); p. 439 - 456, View in Reaxys; Bak, Keld L.; Gauss, Juer-

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2018-01-18 00:45:07

gen; Helgaker, Trygve; Jorgensen, Poul; Olsen, Jeppe; Chemical Physics Letters; vol. 319; nb. 5-6; (2000); p. 563 - 568, View in Reaxys; Costa, Ivan S.; Baqueiro, Delmiro M.; Vianna; Journal of Molecular Structure: THEOCHEM; vol. 464; nb. 1-3; (1999); p. 23 - 29 ; (from Gmelin), View in Reaxys Atom distances, angles; Vibrational constants; Shielding constant

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Bienati, Massimiliano; Adamo, Carlo; Barone, Vincenzo; Chemical Physics Letters; vol. 311; nb. 1-2; (1999); p. 69 - 78 ; (from Gmelin), View in Reaxys

Dipole moment, dipole moment derivative; Quadrupole moment; Polarizability, polarizability derivatives

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Hesselmann, Andreas; Jansen, Georg; Chemical Physics Letters; vol. 315; nb. 3-4; (1999); p. 248 - 256 ; (from Gmelin), View in Reaxys

Dipole moment, dipole moment derivative; Quadrupole moment; Polarizability, polarizability derivatives

further quantum chemical calcns.

Hesselmann, Andreas; Jansen, Georg; Chemical Physics Letters; vol. 315; nb. 3-4; (1999); p. 248 - 256 ; (from Gmelin), View in Reaxys

Atom distances, angles; Ionization potential, orbital energy

Electron correlation and CI calcn.

Guerra, Maurizio; Journal of Physical Chemistry A; vol. 103; nb. 30; (1999); p. 5983 - 5988 ; (from Gmelin), View in Reaxys

Equilibrium internuclear distance; Atomization energy

Electron correlation and CI calcn.

Tsuneda, Takao; Suzumura, Toshihisa; Hirao, Kimihiko; Journal of Chemical Physics; vol. 111; nb. 13; (1999); p. 5656 - 5667 ; (from Gmelin), View in Reaxys

Atom distances, angles; Total energy; Vibrational constants

further quantum chemical calcns.

Gutsev, Gennady L.; Jena, Puru; Bartlett, Rodney J.; Journal of Chemical Physics; vol. 110; nb. 1; (1999); p. 403 - 411 ; (from Gmelin), View in Reaxys

Atom distances, angles; Total energy; Vibrational constants

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Wong, Ming Wah; Radom, Leo; Journal of the Chemical Society, Chemical Communications; nb. 11; (1989); p. 719 - 721, View in Reaxys; Gutsev, Gennady L.; Jena, Puru; Bartlett, Rodney J.; Journal of Chemical Physics; vol. 110; nb. 1; (1999); p. 403 411 ; (from Gmelin), View in Reaxys

Atom distances, angles; Atomization energy

Electron correlation and CI calcn.

Adamo, Carlo; Barone, Vincenzo; Journal of Chemical Physics; vol. 108; nb. 2; (1998); p. 664 - 675, View in Reaxys; Tsuneda, Takao; Suzumura, Toshihisa; Hirao, Kimihiko; Journal of Chemical Physics; vol. 110; nb. 22; (1999); p. 10664 - 10678 ; (from Gmelin), View in Reaxys

Electron distribution; Population analysis, charge distribution

Other semi-empirical calcns. (Hueckel, PPP)

Cubero; Orozco; Hobza; Luque; Journal of Physical Chemistry A; vol. 103; nb. 32; (1999); p. 6394 - 6401 ; (from Gmelin), View in Reaxys

Contour map; Total energy; Vibrational constants

Electron correlation and CI calcn.

Kurosaki, Yuzuru; Takayanagi, Toshiyuki; Journal of Physical Chemistry A; vol. 103; nb. 46; (1999); p. 9323 - 9329 ; (from Gmelin), View in Reaxys

Atomization energy

Electron correlation and CI calcn.

Becke, Axel D.; Journal of Chemical Physics; vol. 97; nb. 12; (1992); p. 9173 - 9177, View in Reaxys; Mebel, A. M.; Morokuma, K.; Lin, M. C.; Journal of Chemical Physics; vol. 103; nb. 17; (1995); p. 7414 - 7421, View in Reaxys; Froese; Humbel; Svensson; Morokuma; Journal of Physical Chemistry A; vol. 101; nb. 2; (1997); p. 227 - 233, View in Reaxys; Becke, Axel D.; Journal of Chemical Physics; vol. 107; nb. 20; (1997); p. 8554 - 8560, View in Reaxys; Dunietz, Barry D.; Murphy, Robert B.; Friesner, Richard A.; Journal of Chemical Physics; vol. 110; nb. 4; (1999); p. 1921 - 1930, View in Reaxys; Fast, Patton L.; Sanchez, Maria L.; Truhlar, Donald G.; Journal of

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Chemical Physics; vol. 111; nb. 7; (1999); p. 2921 - 2926, View in Reaxys; Bauschlicher, Charles W. Jr.; Partridge, Harry; Chemical Physics Letters; vol. 245; (1995); p. 158 - 164, View in Reaxys; Rossi, Ivan; Truhlar, Donald G.; Chemical Physics Letters; vol. 234; (1995); p. 64 - 70 ; (from Gmelin), View in Reaxys Total energy; Atom distances, angles

Electron correlation and CI calcn.

Jursic, Branko S.; Journal of the Chemical Society - Faraday Transactions; vol. 93; nb. 14; (1997); p. 2355 - 2359, View in Reaxys; Derecskei-Kovacs, Agnes; North, Simon W.; Journal of Chemical Physics; vol. 110; nb. 2-12; (1999); p. 2862 - 2871, View in Reaxys; Jursic, Branko S.; Chemical Physics Letters; vol. 256; nb. 1-2; (1996); p. 213 - 219 ; (from Gmelin), View in Reaxys

Contour map

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Bowman; Gazdy; Journal of Physical Chemistry A; vol. 101; nb. 36; (1997); p. 6384 - 6388, View in Reaxys; Michalak; De Proft; Geerlings; Nalewajski; Journal of Physical Chemistry A; vol. 103; nb. 6; (1999); p. 762 - 771 ; (from Gmelin), View in Reaxys

Atom distances, angles

Semi-empirical NDO calcns. (CNDO, INDO, MINDO, PCILO)

Bell, Stephen; Crighton, James S.; Journal of Chemical Physics; vol. 80; nb. 6; (1984); p. 2464 - 2475, View in Reaxys; Gordon, M. S.; Pople, J. A.; Journal of Chemical Physics; vol. 49; (1968); p. 4643 - 4650, View in Reaxys; Nicholson, B. J.; Advan. Chem. Phys.; vol. 18; (1970); p. 249 - 312, View in Reaxys; vol. C: MVol.D1; 15.5.9, page 170 - 175, View in Reaxys; Ivanov, Yu. V.; Gorchakov, V. V.; Theoretical and Experimental Chemistry; vol. 26; (1990); p. 219 - 220; Teoreticheskaya i Eksperimental'naya Khimiya; vol. 26; (1990); p. 236 - 237, View in Reaxys; Zhixing, Chen; Journal of Molecular Structure; vol. 105; (1983); p. 281 - 290, View in Reaxys; Zhixing, Chen; Journal of Molecular Structure; vol. 108; (1984); p. 139 - 148, View in Reaxys; Doemoetoer, Gyula; Stacho, Laszlo L.; Ban, Miklos I.; Journal of Molecular Structure; vol. 455; (1999); p. 219 - 228 ; (from Gmelin), View in Reaxys

Dipole moment, dipole moment derivative

Semi-empirical NDO calcns. (CNDO, INDO, MINDO, PCILO)

Costa, Ivan S.; Baqueiro, Delmiro M.; Vianna; Journal of Molecular Structure: THEOCHEM; vol. 464; nb. 1-3; (1999); p. 23 - 29, View in Reaxys; Wolinski, Krzysztof; Sadlej, Andrzej J.; Journal of Molecular Structure; vol. 53; (1979); p. 287 - 296 ; (from Gmelin), View in Reaxys

Atom distances, Electron correlaangles; Rotational tion and CI calcn. constants; Dipole moment, dipole moment derivative

Komasa, Jacek; Szalewicz, Krzysztof; Leszczynski, Jerzy; Chemical Physics Letters; vol. 285; nb. 5-6; (1998); p. 449 - 454 ; (from Gmelin), View in Reaxys

Atom distances, Electron correlaangles; Dipole tion and CI calcn. moment, dipole moment derivative; Polarizability, polarizability derivatives; Vibrational constants

Gutowski, Maciej; Jordan, Kenneth D.; Skurski, Piotr; Journal of Physical Chemistry A; vol. 102; nb. 15; (1998); p. 2624 - 2633 ; (from Gmelin), View in Reaxys

Shielding constant; Electric field gradient; Vibrational constants

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Rizzo, Antonio; Ruud, Kenneth; Helgaker, Trygve; Jaszunski, Michal; Journal of Chemical Physics; vol. 109; nb. 6; (1998); p. 2264 2274 ; (from Gmelin), View in Reaxys

Shielding constant; Electric field gradient; Vibrational constants

Electron correlation and CI calcn.

Rizzo, Antonio; Ruud, Kenneth; Helgaker, Trygve; Jaszunski, Michal; Journal of Chemical Physics; vol. 109; nb. 6; (1998); p. 2264 2274 ; (from Gmelin), View in Reaxys

Total energy; Vibrational constants

Electron correlation and CI calcn.

Turi, Laszlo; Dannenberg, J. J.; Journal of Physical Chemistry; vol. 97; nb. 30; (1993); p. 7899 - 7909, View in Reaxys; Takayanagi, Toshiyuki; Kurosaki, Yuzuru; Misawa, Kazuaki; Sugiura, Madoka; Kobayashi, Yasuhide; Sato, Kei; Tsunashima, Shigeru; Jour-

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nal of Physical Chemistry A; vol. 102; nb. 31; (1998); p. 6251 - 6258 ; (from Gmelin), View in Reaxys Atomization energy; Total energy

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Tozer, David J.; Handy, Nicholas C.; Journal of Physical Chemistry A; vol. 102; nb. 18; (1998); p. 3162 - 3168 ; (from Gmelin), View in Reaxys

Atom distances, angles

Relativistic calcns.

Hartwigsen; Goedecker; Hutter; Physical Review B - Condensed Matter and Materials Physics; vol. 58; nb. 7; (1998); p. 3641 - 3662 ; (from Gmelin), View in Reaxys

Dipole moment, dipole moment derivative; Vibrational constants

Electron correlation and CI calcn.

Glauser, William A.; Koszykowski, M. L.; Journal of Physical Chemistry; vol. 95; nb. 22; (1991); p. 8507 - 8517, View in Reaxys; Alkorta, Ibon; Rozas, Isabel; Elguero, Jose; Journal of Physical Chemistry A; vol. 102; nb. 46; (1998); p. 9278 - 9285 ; (from Gmelin), View in Reaxys

Atom distances, angles; Dissociation energy, bonding energy

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Irikura, Karl K.; Journal of Physical Chemistry A; vol. 102; nb. 45; (1998); p. 9031 - 9039 ; (from Gmelin), View in Reaxys

Dissociation ener- Electron correlagy, bonding enertion and CI calcn. gy; Total energy

Wang, Hai; Brezinsky, Kenneth; Journal of Physical Chemistry A; vol. 102; nb. 9; (1998); p. 1530 - 1541, View in Reaxys; Nobes, Ross H.; Pople, John A.; Radom, Leo; Handy, Nicholas C.; Knowles, Peter J.; Chemical Physics Letters; vol. 138; (1987); p. 481 - 485 ; (from Gmelin), View in Reaxys

Atom distances, Electron correlaangles; Proton af- tion and CI calcn. finity

Bene, Janet E. Del; Shavitt, Isaiah; Journal of Physical Chemistry; vol. 94; nb. 14; (1990); p. 5514 - 5518, View in Reaxys; Meot-Ner, Michael; Sieck, L. Wayne; Koretke, Kristin K.; Deakyne, Carol A.; Journal of the American Chemical Society; vol. 119; nb. 43; (1997); p. 10430 - 10438 ; (from Gmelin), View in Reaxys

Dipole moment, dipole moment derivative; Atom distances, angles; Potential energy function, potential curve; Electronic energy levels

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Jakubetz, Werner; Lan, Boon Leong; Chemical Physics; vol. 217; nb. 2-3 SPEC. ISS.; (1997); p. 375 - 388 ; (from Gmelin), View in Reaxys

Electronic energy levels; Atom distances, angles; Ionization potential, orbital energy

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Chan, Garnet K.-L.; Tozer, David J.; Handy, Nicholas C.; Journal of Chemical Physics; vol. 107; nb. 5; (1997); p. 1536 - 1543 ; (from Gmelin), View in Reaxys

Rotational conElectron correlastants; Vibrational tion and CI calcn. constants

Rhee, Young Min; Kim, Myung Soo; Journal of Chemical Physics; vol. 107; nb. 5; (1997); p. 1394 - 1402 ; (from Gmelin), View in Reaxys

Vibrational constants; Contour map

Wu, Qian; Zhang, John Z. H.; Bowman, Joel M.; Journal of Chemical Physics; vol. 107; nb. 9; (1997); p. 3602 - 3610 ; (from Gmelin), View in Reaxys

further quantum chemical calcns.

Electron distribu- Electron correlation; Contour map tion and CI calcn.

McIntosh; Gallegos; Lucchese; Bevan; Journal of Chemical Physics; vol. 107; nb. 20; (1997); p. 8327 - 8337 ; (from Gmelin), View in Reaxys

Total energy; Vibrational constants

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Turi, Laszlo; Dannenberg, J. J.; Journal of Physical Chemistry; vol. 97; nb. 30; (1993); p. 7899 - 7909, View in Reaxys; Prasad; Kaur; Uppal; Indian Journal of Chemistry - Section A Inorganic, Physical, Theoretical and Analytical Chemistry; vol. 36; nb. 12; (1997); p. 1013 - 1017 ; (from Gmelin), View in Reaxys

Electron distribution

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Worsnop, S. Kent; Wang, Jiahu; Boyd, Russell J.; Journal of Chemical Physics; vol. 107; nb. 17; (1997); p. 6693 - 6698 ; (from Gmelin), View in Reaxys

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Electron distribution

Electron correlation and CI calcn.

Worsnop, S. Kent; Wang, Jiahu; Boyd, Russell J.; Journal of Chemical Physics; vol. 107; nb. 17; (1997); p. 6693 - 6698 ; (from Gmelin), View in Reaxys

Atom distances, angles; Electronic energy levels; Ionization potential, orbital energy

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Tozer, David J.; Handy, Nicholas C.; Green, William H.; Chemical Physics Letters; vol. 273; nb. 3-4; (1997); p. 183 - 194 ; (from Gmelin), View in Reaxys

Molecular orbitals; Electronic energy levels

Empirical methods

Sapunov; Mereiter; Schmid; Kirchner; Journal of Organometallic Chemistry; vol. 530; nb. 1-2; (1997); p. 105 - 115, View in Reaxys; Bradford, Arleen M.; Kristof, Eva; Rashidi, Mehdi; Yang, DongSheng; Payne, Nicholas C.; Puddephatt, Richard J.; Inorganic Chemistry; vol. 33; (1994); p. 2355 - 2363 ; (from Gmelin), View in Reaxys

Shielding constant; G-factors

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Cybulski; Bishop; Journal of Chemical Physics; vol. 106; nb. 10; (1997); p. 4082 - 4090 ; (from Gmelin), View in Reaxys

Shielding constant; G-factors

further quantum chemical calcns.

Cybulski; Bishop; Journal of Chemical Physics; vol. 106; nb. 10; (1997); p. 4082 - 4090 ; (from Gmelin), View in Reaxys

Shielding constant; G-factors

Electron correlation and CI calcn.

Cybulski; Bishop; Journal of Chemical Physics; vol. 106; nb. 10; (1997); p. 4082 - 4090 ; (from Gmelin), View in Reaxys

Atom distances, Electron correlaangles; Vibration- tion and CI calcn. al constants; IR bands, intensities, transition moments

Karpfen, Alfred; Journal of Physical Chemistry; vol. 100; nb. 32; (1996); p. 13474 - 13486, View in Reaxys; Baeck, Kyoung K.; Watts, John D.; Bartlett, Rodney J.; Journal of Chemical Physics; vol. 107; nb. 10; (1997); p. 3853 - 3863 ; (from Gmelin), View in Reaxys

Atomization energy; Correlation energy

further quantum chemical calcns.

Martin, Jan M. L.; Taylor, Peter R.; Journal of Chemical Physics; vol. 106; nb. 20; (1997); p. 8620 - 8623 ; (from Gmelin), View in Reaxys

Contour map

further quantum chemical calcns.

Bowman, Joel M.; Gazdy, Bela; Bentley, Joseph A.; Lee, Timothy J.; Dateo, Christopher E.; Journal of Chemical Physics; vol. 99; nb. 1; (1993); p. 308 - 323, View in Reaxys; Takayanagi, Toshiyuki; Schatz, George C.; Journal of Chemical Physics; vol. 106; nb. 8; (1997); p. 3227 - 3236 ; (from Gmelin), View in Reaxys

Vibrational constants; Rotational constants; Atom distances, angles

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Feng, Wen Lin; Wang, Yan; Zhang, Shao Wen; Pang, Xian Yong; Chemical Physics Letters; vol. 266; nb. 1-2; (1997); p. 43 - 46 ; (from Gmelin), View in Reaxys

Atom distances, further quantum angles; Dissocia- chemical calcns. tion energy, bonding energy; Total energy

Malcolm, Nathaniel O. J.; McDouall, Joseph J. W.; Journal of Physical Chemistry A; vol. 101; nb. 43; (1997); p. 8119 - 8122 ; (from Gmelin), View in Reaxys

Atom distances, Electron correlaangles; Total ention and CI calcn. ergy; Excited states; Vibrational constants; Dissociation energy, bonding energy

Botschwina; Horn; Matuschewski; Schick; Sebald; Journal of Molecular Structure: THEOCHEM; vol. 400; nb. 1-3; (1997); p. 119 137 ; (from Gmelin), View in Reaxys

Atom distances, angles; Vibrational constants; Potential energy function, potential curve; Dipole moment, dipole moment derivative;

Botschwina; Horn; Matuschewski; Schick; Sebald; Journal of Molecular Structure: THEOCHEM; vol. 400; nb. 1-3; (1997); p. 119 137 ; (from Gmelin), View in Reaxys

further quantum chemical calcns.

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Ionization potential, orbital energy Vibrational constants

Semi-empirical NDO calcns. (CNDO, INDO, MINDO, PCILO)

Turi, Laszlo; Dannenberg, J. J.; Journal of Physical Chemistry; vol. 97; nb. 30; (1993); p. 7899 - 7909, View in Reaxys; Holder, Andrew J.; Dennington II, Roy D.; Journal of Molecular Structure: THEOCHEM; vol. 401; nb. 3; (1997); p. 207 - 218 ; (from Gmelin), View in Reaxys

Density of states; Atom distances, angles

Semi-empirical NDO calcns. (CNDO, INDO, MINDO, PCILO)

Del Nero, Jordan; Laks, Bernardo; Journal of Molecular Structure: THEOCHEM; vol. 394; nb. 2-3; (1997); p. 209 - 214 ; (from Gmelin), View in Reaxys

Population analysis, charge distribution

Semi-empirical NDO calcns. (CNDO, INDO, MINDO, PCILO)

Yan, Xinjian; Wang, Shaomeng; Hodoscek, Milan; Milne, George W. A.; Journal of Molecular Structure; vol. 309; (1994); p. 279 - 294, View in Reaxys; Ponec, Robert; Uhlik, Filip; Journal of Molecular Structure: THEOCHEM; vol. 391; nb. 1-2; (1997); p. 159 - 168 ; (from Gmelin), View in Reaxys

Quadrupole moment; Population analysis, charge distribution; Electron distribution

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Sosa; Peruchena; Contreras; Castro; Journal of Molecular Structure: THEOCHEM; vol. 401; nb. 1-2; (1997); p. 77 - 85 ; (from Gmelin), View in Reaxys

Atom distances, angles; Vibrational constants; IR bands, intensities, transition moments; Population analysis, charge distribution

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Dudev, Todor; Bobadova-Parvanova, Petia; Pencheva, Daniela; Galabov, Boris; Journal of Molecular Structure; vol. 436-437; (1997); p. 427 - 433 ; (from Gmelin), View in Reaxys

Equilibrium internuclear distance; Elastic constants; Atom distances, angles; Force constant

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Chall, Michael; Winkler, Bjoern; Milman, Victor; Journal of Physics Condensed Matter; vol. 8; nb. 46; (1996); p. 9049 - 9057 ; (from Gmelin), View in Reaxys

Total energy; Atomization energy; Correlation energy

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Adamson, Ross D.; Dombroski, Jeremy P.; Gill, Peter M. W.; Chemical Physics Letters; vol. 254; nb. 5-6; (1996); p. 329 - 339 ; (from Gmelin), View in Reaxys

Rotational constants; Dipole moment, dipole moment derivative

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Moliner, Vicente; Andres, Juan; Arnau, Arturo; Silla, Estanislao; Tunon, Inaki; Chemical Physics; vol. 206; nb. 1-2; (1996); p. 57 61 ; (from Gmelin), View in Reaxys

Rotational conElectron correlastants; Dipole mo- tion and CI calcn. ment, dipole moment derivative

Moliner, Vicente; Andres, Juan; Arnau, Arturo; Silla, Estanislao; Tunon, Inaki; Chemical Physics; vol. 206; nb. 1-2; (1996); p. 57 61 ; (from Gmelin), View in Reaxys

Population analysis, charge distribution; Dipole moment, dipole moment derivative; Vibrational constants; IR bands, intensities, transition moments

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

De Proft, Frank; Martin, Jan M.L.; Geerlings, Paul; Chemical Physics Letters; vol. 250; nb. 3-4; (1996); p. 393 - 401 ; (from Gmelin), View in Reaxys

Population analysis, charge distribution; Dipole moment, dipole

further quantum chemical calcns.

De Proft, Frank; Martin, Jan M.L.; Geerlings, Paul; Chemical Physics Letters; vol. 250; nb. 3-4; (1996); p. 393 - 401 ; (from Gmelin), View in Reaxys

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moment derivative; Vibrational constants; IR bands, intensities, transition moments Band structure; Atom distances, angles

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Giribet, Claudio G.; Vizioli, Celia V.; Ruiz De Azua, Martin C.; Contreras, Ruben H.; Dannenberg, Joseph J.; Masunov, Artem; Journal of the Chemical Society - Faraday Transactions; vol. 92; nb. 17; (1996); p. 3029 - 3033 ; (from Gmelin), View in Reaxys

Total energy; Atomization energy

Electron correlation and CI calcn.

Curtiss, Larry A.; Raghavachari, Krishnan; Trucks, Gary W.; Pople, John A.; Journal of Chemical Physics; vol. 94; nb. 11; (1991); p. 7221 - 7230, View in Reaxys; Montgomery, J. A.; Ochterski, J. W.; Petersson, G. A.; Journal of Chemical Physics; vol. 101; nb. 7; (1994); p. 5900 - 5909, View in Reaxys; Pople, John A.; Head-Gordon, Martin; Fox, Douglas J.; Raghavachari, Krishnan; Curtiss, Larry A.; Journal of Chemical Physics; vol. 90; nb. 10; (1989); p. 5622 - 5629, View in Reaxys; Petrie, Simon; Journal of the Chemical Society - Faraday Transactions; vol. 92; nb. 7; (1996); p. 1135 1140 ; (from Gmelin), View in Reaxys

Total energy; Dissociation energy, bonding energy

Electron correlation and CI calcn.

Curtiss, Larry A.; Carpenter, John E.; Raghavachari, Krishnan; Pople, John A.; Journal of Chemical Physics; vol. 96; nb. 12; (1992); p. 9030 - 9034, View in Reaxys; Curtiss, Larry A.; Raghavachari, Krishnan; Pople, John A.; Journal of Chemical Physics; vol. 98; nb. 2; (1993); p. 1293 - 1298, View in Reaxys; Curtiss, Larry A.; Redfern, Paul C.; Smith, Brian J.; Radom, Leo; Journal of Chemical Physics; vol. 104; nb. 13; (1996); p. 5148 - 5152 ; (from Gmelin), View in Reaxys

Fine/ hyper fine coupling constants; Electric field gradient

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Bagno, Alessandro; Scorrano, Gianfranco; Journal of Physical Chemistry; vol. 100; nb. 5; (1996); p. 1545 - 1553 ; (from Gmelin), View in Reaxys

Atom distances, angles; Dipole moment, dipole moment derivative; Vibrational constants; Force constant

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Choi, Cheol Ho; Kertesz, Miklos; Journal of Physical Chemistry; vol. 100; nb. 41; (1996); p. 16530 - 16537 ; (from Gmelin), View in Reaxys

Atom distances, angles; Dipole moment, dipole moment derivative; Vibrational constants; Force constant

Electron correlation and CI calcn.

Choi, Cheol Ho; Kertesz, Miklos; Journal of Physical Chemistry; vol. 100; nb. 41; (1996); p. 16530 - 16537 ; (from Gmelin), View in Reaxys

Polarizability, polarizability derivatives; Total energy; Electronegativity

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Ghanty, Tapan K.; Ghosh, Swapan K.; Journal of Physical Chemistry; vol. 100; nb. 30; (1996); p. 12295 - 12298 ; (from Gmelin), View in Reaxys

Atom distances, angles; Vibrational constants; IR bands, intensities, transition moments

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Karpfen, Alfred; Journal of Physical Chemistry; vol. 100; nb. 32; (1996); p. 13474 - 13486 ; (from Gmelin), View in Reaxys

Atom distances, Other semi-empirangles; Electrone- ical calcns. gativity (Hueckel, PPP)

Komorowski, Ludwik; Boyd, Susan L.; Boyd, Russell J.; Journal of Physical Chemistry; vol. 100; nb. 9; (1996); p. 3448 - 3453 ; (from Gmelin), View in Reaxys

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Atom distances, angles; Total energy

Other semi-empirical calcns. (Hueckel, PPP)

Liu, Guang-Hua; Journal of Chemical Physics; vol. 106; nb. 1; (1996); p. 165 - 171 ; (from Gmelin), View in Reaxys

Population analysis, charge distribution; Total energy; Correlation energy

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Liu, Guang-Hua; Journal of Chemical Physics; vol. 106; nb. 1; (1996); p. 165 - 171 ; (from Gmelin), View in Reaxys

Effective masses

Electron correlation and CI calcn.

Reimers; Zeng; Hush; Journal of Physical Chemistry; vol. 100; nb. 5; (1996); p. 1498 - 1504 ; (from Gmelin), View in Reaxys

Equilibrium internuclear distance; Vibrational constants; Potential energy function, potential curve; Dipole moment, dipole moment derivative; Polarizability, polarizability derivatives

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Reimers; Zeng; Hush; Journal of Physical Chemistry; vol. 100; nb. 5; (1996); p. 1498 - 1504 ; (from Gmelin), View in Reaxys

Equilibrium internuclear distance; Vibrational constants; Potential energy function, potential curve; Dipole moment, dipole moment derivative; Polarizability, polarizability derivatives

Electron correlation and CI calcn.

Reimers; Zeng; Hush; Journal of Physical Chemistry; vol. 100; nb. 5; (1996); p. 1498 - 1504 ; (from Gmelin), View in Reaxys

Atom distances, angles; Total energy; Vibrational constants

Electron correlation and CI calcn.

Talbi; Ellinger; Chemical Physics Letters; vol. 263; nb. 3-4; (1996); p. 385 - 392 ; (from Gmelin), View in Reaxys

Atom distances, angles; Contour map; Dipole moment, dipole moment derivative; Vibrational constants

further quantum chemical calcns.

Wang; Jhonson; Boyd; Eriksson; Journal of physical chemistry; vol. 100; nb. 15; (1996); p. 6317 - 6324 ; (from Gmelin), View in Reaxys

Atom distances, angles; Contour map; Dipole moment, dipole moment derivative; Vibrational constants

Electron correlation and CI calcn.

Wang; Jhonson; Boyd; Eriksson; Journal of physical chemistry; vol. 100; nb. 15; (1996); p. 6317 - 6324 ; (from Gmelin), View in Reaxys

Atom distances, angles; Dipole moment, dipole moment derivative; Vibrational constants

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Wang; Jhonson; Boyd; Eriksson; Journal of physical chemistry; vol. 100; nb. 15; (1996); p. 6317 - 6324 ; (from Gmelin), View in Reaxys

Magnetic susceptibility; Shielding constant

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Zanasi, Riccardo; Journal of Chemical Physics; vol. 105; nb. 4; (1996); p. 1460 - 1469, View in Reaxys; Keith, T. A.; Bader, R. F. W.; Chemical Physics Letters; vol. 194; (1992); p. 1 - 8 ; (from Gmelin), View in Reaxys

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Magnetic susceptibility; Shielding constant

further quantum chemical calcns.

Zanasi, Riccardo; Journal of Chemical Physics; vol. 105; nb. 4; (1996); p. 1460 - 1469 ; (from Gmelin), View in Reaxys

Atom distances, angles; Dipole moment, dipole moment derivative; Quadrupole moment; Magnetic susceptibility

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

De Luca, Giorgio; Russo, Nino; Sicilia, Emilia; Toscano, Marirosa; Journal of Chemical Physics; vol. 105; nb. 8; (1996); p. 3206 3210 ; (from Gmelin), View in Reaxys

Atom distances, angles; Ionization potential, orbital energy

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Luna; Mebel; Morokuma; Journal of Chemical Physics; vol. 105; nb. 8; (1996); p. 3187 - 3205 ; (from Gmelin), View in Reaxys

Atom distances, angles; Excited states

Electron correlation and CI calcn.

Palma; Semprini; Stefani; Talamo; Journal of Chemical Physics; vol. 105; nb. 12; (1996); p. 5091 - 5098 ; (from Gmelin), View in Reaxys

Vibrational constants; IR bands, intensities, transition moments

Electron correlation and CI calcn.

Araujo, Regiane C.M.U.; Ramos, Mozart N.; Journal of Molecular Structure: THEOCHEM; vol. 366; nb. 3; (1996); p. 233 - 240 ; (from Gmelin), View in Reaxys

Atom distances, angles; Dipole moment, dipole moment derivative; Vibrational constants; Atomization energy

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Garcia; Cruz; Sarasola; Ugalde; Journal of Molecular Structure: THEOCHEM; vol. 363; nb. 3; (1996); p. 279 - 290 ; (from Gmelin), View in Reaxys

Density of states

further quantum chemical calcns.

Kiefer, John H.; Mudipalli, Partha S.; Wagner, Albert F.; Harding, Lawrence; Journal of Chemical Physics; vol. 105; nb. 18; (1996); p. 8075 - 8096 ; (from Gmelin), View in Reaxys

Atom distances, angles; Dipole moment, dipole moment derivative; Vibrational constants; IR bands, intensities, transition moments

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

King, Bretta F.; Weinhold, Frank; Journal of Chemical Physics; vol. 103; nb. 1; (1995); p. 333 - 347 ; (from Gmelin), View in Reaxys

Atom distances, Electron correlaangles; Dipole tion and CI calcn. moment, dipole moment derivative; Vibrational constants; IR bands, intensities, transition moments

King, Bretta F.; Weinhold, Frank; Journal of Chemical Physics; vol. 103; nb. 1; (1995); p. 333 - 347 ; (from Gmelin), View in Reaxys

Atom distances, angles; Potential energy function, potential curve; Vibrational constants; Excited states; Contour map

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Gazdy, B.; Musaev, D. G.; Bowman, J. M.; Morokuma, K.; Chemical Physics Letters; vol. 237; (1995); p. 27 - 32 ; (from Gmelin), View in Reaxys

Total energy; Dipole moment, dipole moment derivative; Polariza-

Electron correlation and CI calcn.

Angyan, Janos G.; Chemical Physics Letters; vol. 241; (1995); p. 51 - 56 ; (from Gmelin), View in Reaxys

258/296

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bility, polarizability derivatives Atom distances, angles; Vibrational constants; Atomization energy

further quantum chemical calcns.

Martin, Jan M. L.; Chemical Physics Letters; vol. 242; (1995); p. 343 - 350 ; (from Gmelin), View in Reaxys

Dipole moment, further quantum dipole moment chemical calcns. derivative; IR bands, intensities, transition moments

Lie, G. C.; Peyerimhoff, Sigrid D.; Buenker, Robert J.; Journal of Molecular Spectroscopy; vol. 93; (1982); p. 74 - 82, View in Reaxys; Botschwina, P.; Schulz, B.; Horn, M.; Matuschewski, M.; Chemical Physics; vol. 190; (1995); p. 345 - 362 ; (from Gmelin), View in Reaxys

Dipole moment, Electron correladipole moment tion and CI calcn. derivative; IR bands, intensities, transition moments

Magnetic moment Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Bour, Petr; Tam, Cheok N.; Keiderling, Timothy A.; Journal of Physical Chemistry; vol. 99; nb. 51; (1995); p. 17810 - 17813 ; (from Gmelin), View in Reaxys

Magnetic moment Electron correlation and CI calcn.

Bour, Petr; Tam, Cheok N.; Keiderling, Timothy A.; Journal of Physical Chemistry; vol. 99; nb. 51; (1995); p. 17810 - 17813 ; (from Gmelin), View in Reaxys

Force constant; Vibrational constants

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Harris, Nathan J.; Journal of Physical Chemistry; vol. 99; nb. 40; (1995); p. 14689 - 14699, View in Reaxys; Farnell, Leslie; Nobes, Ross H.; Radom, Leo; Journal of Molecular Spectroscopy; vol. 93; (1982); p. 271 - 280 ; (from Gmelin), View in Reaxys

Force constant; Vibrational constants

Electron correlation and CI calcn.

Harris, Nathan J.; Journal of Physical Chemistry; vol. 99; nb. 40; (1995); p. 14689 - 14699 ; (from Gmelin), View in Reaxys

Total energy; Pro- Electron correlaton affinity tion and CI calcn.

Smith, Brian J.; Radom, Leo; Journal of the American Chemical Society; vol. 115; nb. 11; (1993); p. 4885 - 4888, View in Reaxys; Deakyne, Carol A.; Meot-Ner, Michael (Mautner); Buckley, Thomas J.; Metz, Ricardo; Journal of Chemical Physics; vol. 86; (1987); p. 2334 - 2342, View in Reaxys; Ijjaali, F.; Mo, O.; Yannez, M.; Abboud, J.-L. M; Journal of Molecular Structure; vol. 338; (1995); p. 225 - 234 ; (from Gmelin), View in Reaxys

Ionization potential, orbital energy; Total energy

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Otto, P.; Reif, H.; Hernandez-Laguna, A.; Journal of Molecular Structure; vol. 340; (1995); p. 51 - 62 ; (from Gmelin), View in Reaxys

Ionization potential, orbital energy; Total energy; Correlation energy

further quantum chemical calcns.

Otto, P.; Reif, H.; Hernandez-Laguna, A.; Journal of Molecular Structure; vol. 340; (1995); p. 51 - 62 ; (from Gmelin), View in Reaxys

Magnetic moment; Magnetic susceptibility

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Cybulski, Slawomir M.; Bishop, David M.; Journal of Chemical Physics; vol. 100; nb. 3; (1994); p. 2019 - 2026 ; (from Gmelin), View in Reaxys

Magnetic moment; Magnetic susceptibility

Electron correlation and CI calcn.

Cybulski, Slawomir M.; Bishop, David M.; Journal of Chemical Physics; vol. 100; nb. 3; (1994); p. 2019 - 2026 ; (from Gmelin), View in Reaxys

259/296

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Equilibrium internuclear distance; Vibrational constants; IR bands, intensities, transition moments; Dipole moment, dipole moment derivative; Excited states

further quantum chemical calcns.

Stanton, John F.; Gauss, Juergen; Journal of Chemical Physics; vol. 100; nb. 6; (1994); p. 4695 - 4698 ; (from Gmelin), View in Reaxys

Atom distances, angles; Vibrational constants; Atomization energy; Dipole moment, dipole moment derivative

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Oliphant, Nevin; Bartlett, Rodney J.; Journal of Chemical Physics; vol. 100; nb. 9; (1994); p. 6550 - 6561 ; (from Gmelin), View in Reaxys

Atom distances, angles; Vibrational constants; Atomization energy; Dipole moment, dipole moment derivative

Electron correlation and CI calcn.

Oliphant, Nevin; Bartlett, Rodney J.; Journal of Chemical Physics; vol. 100; nb. 9; (1994); p. 6550 - 6561 ; (from Gmelin), View in Reaxys

Electric field gradient; Shielding constant; Polarizability, polarizability derivatives

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Bishop, David M.; Cybulski, Slawomir M.; Journal of Chemical Physics; vol. 100; nb. 9; (1994); p. 6628 - 6632 ; (from Gmelin), View in Reaxys

Electric field gra- Electron correladient; Shielding tion and CI calcn. constant; Polarizability, polarizability derivatives

Bishop, David M.; Cybulski, Slawomir M.; Journal of Chemical Physics; vol. 100; nb. 9; (1994); p. 6628 - 6632 ; (from Gmelin), View in Reaxys

Total energy; Atomization energy; Atom distances, angles; Vibrational constants

further quantum chemical calcns.

Martin, Jan M. L.; Journal of Chemical Physics; vol. 100; nb. 11; (1994); p. 8186 - 8193 ; (from Gmelin), View in Reaxys

Dipole moment, dipole moment derivative; Polarizability, polarizability derivatives; IR bands, intensities, transition moments

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Darling, Cynthia L.; Schlegel, H. Bernhard; Journal of Physical Chemistry; vol. 98; nb. 23; (1994); p. 5855 - 5861 ; (from Gmelin), View in Reaxys

Dissociation energy, bonding energy; Population analysis, charge distribution

Semi-empirical NDO calcns. (CNDO, INDO, MINDO, PCILO)

Maksic, Z. B.; Kovacek, D.; Kovacevic, K.; Medven, Z.; Journal of Molecular Structure; vol. 304; (1994); p. 151 - 162 ; (from Gmelin), View in Reaxys

Dipole moment, dipole moment derivative; Equilibrium internuclear distance; IR bands, intensities, transition moments; Population analysis, charge distribution

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Kim, Kwan; Kim, Nakjoong; Journal of Molecular Structure; vol. 305; (1994); p. 241 - 248 ; (from Gmelin), View in Reaxys

260/296

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Dipole moment, further quantum dipole moment chemical calcns. derivative; Equilibrium internuclear distance; IR bands, intensities, transition moments; Population analysis, charge distribution

Kim, Kwan; Kim, Nakjoong; Journal of Molecular Structure; vol. 305; (1994); p. 241 - 248 ; (from Gmelin), View in Reaxys

Dipole moment, Electron correladipole moment tion and CI calcn. derivative; Equilibrium internuclear distance; IR bands, intensities, transition moments; Population analysis, charge distribution

Kim, Kwan; Kim, Nakjoong; Journal of Molecular Structure; vol. 305; (1994); p. 241 - 248 ; (from Gmelin), View in Reaxys

Dissociation ener- Semi-empirical gy, bonding ener- NDO calcns. gy (CNDO, INDO, MINDO, PCILO)

Kovacek, D.; Maksic, Z. B.; Petanjek, I.; Basic, I.; Journal of Molecular Structure; vol. 305; (1994); p. 261 - 282 ; (from Gmelin), View in Reaxys

Atom distances, angles; Dipole moment, dipole moment derivative; Vibrational constants; Rotational constants; Total energy

Electron correlation and CI calcn.

Plummer, Patricia L. Moore; Journal of Molecular Structure; vol. 307; (1994); p. 119 - 134 ; (from Gmelin), View in Reaxys

Molecular orbitals; Electronic energy levels; Population analysis, charge distribution

Electron correlation and CI calcn.

Plummer, Patricia L. Moore; Journal of Molecular Structure; vol. 307; (1994); p. 119 - 134 ; (from Gmelin), View in Reaxys

Atom distances, Ab initio calcns. angles; Electronic (LCAO, GO SCF, constants DIM, SAMO, X-alpha, HartreeFock)

Ruud, Kenneth; Helgaker, Trygve; Joergensen, Poul; Bak, Keld L.; Chemical Physics Letters; vol. 223; (1994); p. 12 - 18 ; (from Gmelin), View in Reaxys

Ionization potential, orbital energy; Oscillator strength, transition probability

further quantum chemical calcns.

Aagren, Hans; Carravetta, Vincenzo; Vahtras, Olav; Pettersson, Lars G.M.; Chemical Physics Letters; vol. 222; (1994); p. 75 - 81 ; (from Gmelin), View in Reaxys

Potential energy function, potential curve; Vibrational constants

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Jones, R.; Goss, J.; Ewels, C.; Oeberg, S.; Physical Review B: Condensed Matter and Materials Physics; vol. 50; (1994); p. 8378 8388 ; (from Gmelin), View in Reaxys

Atom distances, angles; Rotational constants; Vibrational constants; Dipole moment, dipole moment derivative; Population analysis, charge distribution

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Chattopadhyay, Soumitra; Plummer, Patricia L. M.; Chemical Physics; vol. 182; (1994); p. 39 - 52 ; (from Gmelin), View in Reaxys

261/296

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Atom distances, Electron correlaangles; Rotational tion and CI calcn. constants; Vibrational constants; Dipole moment, dipole moment derivative; Population analysis, charge distribution

Chattopadhyay, Soumitra; Plummer, Patricia L. M.; Chemical Physics; vol. 182; (1994); p. 39 - 52 ; (from Gmelin), View in Reaxys

Population analysis, charge distribution

Other semi-empirical calcns. (Hueckel, PPP)

Mullay, John; Journal of the American Chemical Society; vol. 108; nb. 8; (1986); p. 1770 - 1775, View in Reaxys; Yan, Xinjian; Wang, Shaomeng; Hodoscek, Milan; Milne, George W. A.; Journal of Molecular Structure; vol. 309; (1994); p. 279 - 294 ; (from Gmelin), View in Reaxys

Atom distances, angles; Total energy

further quantum chemical calcns.

Zhan, Chang-Guo; Journal of Molecular Structure; vol. 310; (1994); p. 55 - 66 ; (from Gmelin), View in Reaxys

Dipole moment, dipole moment derivative; Quadrupole moment

Semi-empirical NDO calcns. (CNDO, INDO, MINDO, PCILO)

Cummins, Peter L.; Gready, Jill E.; Chemical Physics Letters; vol. 225; (1994); p. 11 - 17 ; (from Gmelin), View in Reaxys

Molecular orbitals; Electronic energy levels

Semi-empirical NDO calcns. (CNDO, INDO, MINDO, PCILO)

Yumatov, V. D.; Salakhutdinov, N. F.; Russian Chemical Bulletin; vol. 43; nb. 7; (1994); p. 1186 - 1190; Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya; nb. 7; (1994); p. 1251 - 1254 ; (from Gmelin), View in Reaxys

Potential energy function, potential curve; Dipole moment, dipole moment derivative

Electron correlation and CI calcn.

Umeda, H.; Sugawara, M.; Fujimura, Y.; Koseki, S.; Chemical Physics Letters; vol. 229; (1994); p. 233 - 238 ; (from Gmelin), View in Reaxys

Total energy; Cor- Electron correlarelation energy tion and CI calcn.

Martinez, Todd J.; Carter, Emily A.; Journal of Chemical Physics; vol. 100; nb. 5; (1994); p. 3631 - 3638, View in Reaxys; Redmon, Lynn T.; Purvis, George D.; Bartlett, Rodney J.; Journal of Chemical Physics; vol. 72; nb. 2; (1980); p. 986 - 991 ; (from Gmelin), View in Reaxys

Total energy; Atom distances, angles; Vibrational constants; Potential energy function, potential curve; Force constant

further quantum chemical calcns.

Bowman, Joel M.; Gazdy, Bela; Bentley, Joseph A.; Lee, Timothy J.; Dateo, Christopher E.; Journal of Chemical Physics; vol. 99; nb. 1; (1993); p. 308 - 323 ; (from Gmelin), View in Reaxys

Atom distances, angles; Total energy; Dipole moment, dipole moment derivative; IR bands, intensities, transition moments

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Thomas, J. Russell; DeLeeuw, Bradley J.; Vacek, George; Crawford, T. Daniel; Yamaguchi, Yukio; Schaefer, Henry F.; Journal of Chemical Physics; vol. 99; nb. 1; (1993); p. 403 - 416 ; (from Gmelin), View in Reaxys

Atom distances, angles; Total energy; Dipole moment, dipole moment derivative; IR bands, intensities, transition moments

further quantum chemical calcns.

Atom distances, angles; Total energy; Dipole moment, dipole mo-

Electron correlation and CI calcn.

262/296

2018-01-18 00:45:07

ment derivative; IR bands, intensities, transition moments Atom distances, angles; IR bands, intensities, transition moments

further quantum chemical calcns.

Martin, J. M. L.; Taylor, Peter R.; Lee, Timothy J.; Journal of Chemical Physics; vol. 99; nb. 1; (1993); p. 286 - 292 ; (from Gmelin), View in Reaxys

Atom distances, angles; Total energy; Dipole moment, dipole moment derivative; Polarizability, polarizability derivatives

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Panas, Itai; Chemical Physics Letters; vol. 206; (1993); p. 305 311 ; (from Gmelin), View in Reaxys

Total energy; Atom distances, angles; Dipole moment, dipole moment derivative; Polarizability, polarizability derivatives

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Panas, Itai; Chemical Physics Letters; vol. 206; (1993); p. 305 311 ; (from Gmelin), View in Reaxys

Total energy; Atomization energy; Dissociation energy, bonding energy

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Seminario, Jorge M.; Chemical Physics Letters; vol. 206; (1993); p. 547 - 554 ; (from Gmelin), View in Reaxys

Electric field gradient; Shielding constant

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Augspurger, Joseph D.; Dykstra, Clifford E.; Journal of Chemical Physics; vol. 99; nb. 3; (1993); p. 1828 - 1836 ; (from Gmelin), View in Reaxys

Equilibrium internuclear distance; Dipole moment, dipole moment derivative; IR bands, intensities, transition moments; Vibrational constants

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Thomas, J. Russell; DeLeeuw, Bradley J.; Vacek, George; Schaefer, Henry F.; Journal of Chemical Physics; vol. 98; nb. 2; (1993); p. 1336 - 1344 ; (from Gmelin), View in Reaxys

Equilibrium inter- further quantum nuclear distance; chemical calcns. Dipole moment, dipole moment derivative; IR bands, intensities, transition moments; Vibrational constants

Thomas, J. Russell; DeLeeuw, Bradley J.; Vacek, George; Schaefer, Henry F.; Journal of Chemical Physics; vol. 98; nb. 2; (1993); p. 1336 - 1344 ; (from Gmelin), View in Reaxys

Equilibrium inter- Electron correlanuclear distance; tion and CI calcn. Dipole moment, dipole moment derivative; IR bands, intensities, transition moments; Vibrational constants

Thomas, J. Russell; DeLeeuw, Bradley J.; Vacek, George; Schaefer, Henry F.; Journal of Chemical Physics; vol. 98; nb. 2; (1993); p. 1336 - 1344 ; (from Gmelin), View in Reaxys

Total energy; Cor- Electron correlarelation energy; tion and CI calcn. Wave function

Magnusson, Eric; Journal of the American Chemical Society; vol. 115; nb. 3; (1993); p. 1051 - 1061 ; (from Gmelin), View in Reaxys

263/296

2018-01-18 00:45:07

Wave function

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Magnusson, Eric; Journal of the American Chemical Society; vol. 115; nb. 3; (1993); p. 1051 - 1061, View in Reaxys; Duran, Miquel; Yamaguchi, Yukio; Remington, Richard B.; Schaefer, Henry F. III; Chemical Physics; vol. 122; (1988); p. 201 - 232 ; (from Gmelin), View in Reaxys

Vibrational constants; Heat capacity cp, cv

Semi-empirical NDO calcns. (CNDO, INDO, MINDO, PCILO)

Healy, Eamonn F.; Holder, Andrew; Journal of Molecular Structure; vol. 281; (1993); p. 141 - 156 ; (from Gmelin), View in Reaxys

Proton affinity

further quantum chemical calcns.

Bene, Janet E. Del; Shavitt, Isaiah; Journal of Physical Chemistry; vol. 94; nb. 14; (1990); p. 5514 - 5518, View in Reaxys; Botschwina, Peter; Horn, Matthias; Fluegge, Joerg; Seeger, Sigrun; Journal of the Chemical Society, Faraday Transactions; vol. 89; nb. 13; (1993); p. 2219 - 2230 ; (from Gmelin), View in Reaxys

Equilibrium internuclear distance; Molecular orbitals; Electronic energy levels

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Yamaguchi, Yukio; Remington, Richard B.; Gaw, Jeffrey F.; Schaefer, Henry F.; Frenking, Gernot; Journal of Chemical Physics; vol. 98; nb. 11; (1993); p. 8749 - 8760 ; (from Gmelin), View in Reaxys

Equilibrium internuclear distance; Atomization energy; IR bands, intensities, transition moments; Dipole moment, dipole moment derivative

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Johnson, Benny G.; Gill, Peter M. W.; Pople, John A.; Journal of Chemical Physics; vol. 98; nb. 7; (1993); p. 5612 - 5626 ; (from Gmelin), View in Reaxys

Equilibrium internuclear distance; Atomization energy; IR bands, intensities, transition moments; Dipole moment, dipole moment derivative

Electron correlation and CI calcn.

Johnson, Benny G.; Gill, Peter M. W.; Pople, John A.; Journal of Chemical Physics; vol. 98; nb. 7; (1993); p. 5612 - 5626 ; (from Gmelin), View in Reaxys

Equilibrium inter- Electron correlanuclear distance; tion and CI calcn. Vibrational constants; Force constant; Total energy

Wong, Adrian T.; Bacskay, George B.; Molecular Physics; vol. 79; (1993); p. 819 - 834 ; (from Gmelin), View in Reaxys

Equilibrium inter- further quantum nuclear distance; chemical calcns. Vibrational constants; Force constant; Total energy; Potential energy function, potential curve

Wong, Adrian T.; Bacskay, George B.; Molecular Physics; vol. 79; (1993); p. 819 - 834 ; (from Gmelin), View in Reaxys

Total energy; Electronic energy levels

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Chattaraj, P. K.; Nath, S.; Sannigrahi, A. B.; Chemical Physics Letters; vol. 212; (1993); p. 223 - 230 ; (from Gmelin), View in Reaxys

Total energy; Polarizability, polarizability derivatives; Shielding constant

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Grayson, Martin; Raynes, William T.; Chemical Physics Letters; vol. 214; (1993); p. 473 - 480 ; (from Gmelin), View in Reaxys

Total energy; Equilibrium internuclear distance;

further quantum chemical calcns.

Lee, Timothy J.; Dateo, Christopher E.; Gazdy, Bela; Bowman, Joel M.; Journal of Physical Chemistry; vol. 97; nb. 35; (1993); p. 8937 - 8943 ; (from Gmelin), View in Reaxys

264/296

2018-01-18 00:45:07

Rotational constants; Force constant; Vibrational constants Contour map; Electron distribution; Dipole moment, dipole moment derivative; Polarizability, polarizability derivatives

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Alkorta, Ibon; Villar, Hugo O.; Perez, Juan J.; Journal of Physical Chemistry; vol. 97; nb. 36; (1993); p. 9113 - 9119 ; (from Gmelin), View in Reaxys

Atom distances, angles; NMR shifts, signals, intensities, transition moments

Electron correlation and CI calcn.

Gauss, Juergen; Journal of Chemical Physics; vol. 99; nb. 5; (1993); p. 3629 - 3643 ; (from Gmelin), View in Reaxys

IR bands, intensities, transition moments

Electron correlation and CI calcn.

Kurnig, Ingrid J.; Lischka, Hans; Karpfen, Alfred; Journal of Chemical Physics; vol. 92; nb. 4; (1990); p. 2469 - 2477, View in Reaxys; Yang, D. L.; Yu, T.; Lin, M. C.; Melius, C. F.; Journal of Chemical Physics; vol. 97; nb. 1; (1992); p. 222 - 226, View in Reaxys; Adamowicz, Ludwik; Chemical Physics; vol. 165; (1992); p. 281 - 286, View in Reaxys; Gwaltney, Steven R.; Bartlett, Rodney J.; Journal of Chemical Physics; vol. 99; (1993); p. 3151 3152 ; (from Gmelin), View in Reaxys

Equilibrium internuclear distance; Atomization energy

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Laming, Gregory J.; Termath, Volker; Handy, Nicholas C.; Journal of Chemical Physics; vol. 99; nb. 11; (1993); p. 8765 - 8773 ; (from Gmelin), View in Reaxys

Atom distances, angles; Contour map

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Lan, Boon Leong; Bowman, Joel M.; Journal of Physical Chemistry; vol. 97; nb. 48; (1993); p. 12535 - 12540 ; (from Gmelin), View in Reaxys

Atom distances, angles; Total energy; Contour map; Population analysis, charge distribution

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Schwarz, W. H. E.; Lin, H. L.; Irle, S.; Niu, J. E.; Journal of Molecular Structure; vol. 255; (1992); p. 435 - 460 ; (from Gmelin), View in Reaxys

Electron distribution; Contour map; Molecular orbitals

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Kraka, Elfi; Cremer, Dieter; Journal of Molecular Structure; vol. 255; (1992); p. 189 - 206 ; (from Gmelin), View in Reaxys

Ionization poten- Semi-empirical tial, orbital energy NDO calcns. (CNDO, INDO, MINDO, PCILO)

Jano, I; Journal de Chimie Physique et de Physico-Chimie Biologique; vol. 89; nb. 4; (1992); p. 915 - 930 ; (from Gmelin), View in Reaxys

Dipole moment, dipole moment derivative; Population analysis, charge distribution

Semi-empirical NDO calcns. (CNDO, INDO, MINDO, PCILO)

Ramos, Mozart N.; Neto, Benecio de B.; Chemical Physics Letters; vol. 199; (1992); p. 482 - 486 ; (from Gmelin), View in Reaxys

Atom distances, angles; Contour map; Transition energies

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Bentley, Joseph A.; Bowman, Joel M.; Gazdy, Bela; Chemical Physics Letters; vol. 198; (1992); p. 563 - 569 ; (from Gmelin), View in Reaxys

Population analysis, charge distri-

Semi-empirical NDO calcns.

Negre, M.; Orozco, M.; Luque, F. J.; Chemical Physics Letters; vol. 196; (1992); p. 27 - 36 ; (from Gmelin), View in Reaxys

265/296

2018-01-18 00:45:07

bution; Dipole moment, dipole moment derivative

(CNDO, INDO, MINDO, PCILO)

Atom distances, angles

Other semi-empirical calcns. (Hueckel, PPP)

Bickelhaupt, F. Matthias; Nibbering, Nico M. M.; Wezenbeek, Egbert M. van; Baerends, Evert Jan; Journal of Physical Chemistry; vol. 96; nb. 12; (1992); p. 4864 - 4873 ; (from Gmelin), View in Reaxys

Electronegativity

Semi-empirical NDO calcns. (CNDO, INDO, MINDO, PCILO)

Datta, Dipankar; Inorganic Chemistry; vol. 31; (1992); p. 2797 2800 ; (from Gmelin), View in Reaxys

Electric field gra- Ab initio calcns. dient; Quadrupole (LCAO, GO SCF, moment DIM, SAMO, X-alpha, HartreeFock)

Cremer, Dieter; Krueger, Michael; Journal of Physical Chemistry; vol. 96; nb. 8; (1992); p. 3239 - 3245 ; (from Gmelin), View in Reaxys

Electric field gra- Electron correladient; Quadrupole tion and CI calcn. moment

Cremer, Dieter; Krueger, Michael; Journal of Physical Chemistry; vol. 96; nb. 8; (1992); p. 3239 - 3245 ; (from Gmelin), View in Reaxys

Force constant; Excited states

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Zuniga, Jose; Bastida, Adolfo; Requena, Alberto; Journal of Physical Chemistry; vol. 96; nb. 24; (1992); p. 9691 - 9696 ; (from Gmelin), View in Reaxys

Equilibrium internuclear distance; IR bands, intensities, transition moments

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Dinur, Uri; Chemical Physics Letters; vol. 192; (1992); p. 399 - 406 ; (from Gmelin), View in Reaxys

Equilibrium internuclear distance; Total energy

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Won, Youngdo; Lee, Jung-Goo; Ringnalda, Murco N.; Friesner, Richard A.; Journal of Chemical Physics; vol. 94; nb. 12; (1991); p. 8152 - 8157, View in Reaxys; Ugalde, Jesus M.; Journal of Molecular Structure; vol. 258; (1992); p. 167 - 174 ; (from Gmelin), View in Reaxys

Total energy; Atom distances, angles; Dipole moment, dipole moment derivative

Other semi-empirical calcns. (Hueckel, PPP)

Shepard, R.; Lischka, H.; Szalay, P. G.; Kovar, T.; Ernzerhof, M.; Journal of Chemical Physics; vol. 96; nb. 3; (1992); p. 2085 - 2098 ; (from Gmelin), View in Reaxys

Equilibrium internuclear distance; Dipole moment, dipole moment derivative; Polarizability, polarizability derivatives; Vibrational constants

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Bouteiller, Y.; Behrouz, H.; Journal of Chemical Physics; vol. 96; nb. 8; (1992); p. 6033 - 6038 ; (from Gmelin), View in Reaxys

Equilibrium internuclear distance; Dipole moment, dipole moment derivative; Polarizability, polarizability derivatives; Vibrational constants

Electron correlation and CI calcn.

Bouteiller, Y.; Behrouz, H.; Journal of Chemical Physics; vol. 96; nb. 8; (1992); p. 6033 - 6038 ; (from Gmelin), View in Reaxys

IR bands, intensities, transition moments; Atom

Electron correlation and CI calcn.

Dayton, D. C.; Pedersen, L. G.; Miller, R. E.; Journal of Physical Chemistry; vol. 96; nb. 3; (1992); p. 1087 - 1095 ; (from Gmelin), View in Reaxys

266/296

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distances, angles; Total energy Total energy; Quadrupole moment

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Chandra, P; Indian Journal of Chemistry, Section A: Inorganic, Bioinorganic, Physical, Theoretical & Analytical Chemistry; vol. 31; nb. 8; (1992); p. 550 - 552, View in Reaxys; Prasad, G.; Keshari, V.; Chandra, P.; Journal of Molecular Structure; vol. 192; (1989); p. 253 - 262 ; (from Gmelin), View in Reaxys

Total energy; Atomization energy

further quantum chemical calcns.

Martin, J. M. L.; Journal of Chemical Physics; vol. 97; nb. 7; (1992); p. 5012 - 5018 ; (from Gmelin), View in Reaxys

Vibrational conElectron correlastants; Total enertion and CI calcn. gy

Gonzalez, Carlos; Schlegel; Journal of the American Chemical Society; vol. 114; nb. 23; (1992); p. 9118 - 9122 ; (from Gmelin), View in Reaxys

Dissociation ener- Valence bond gy, bonding ener- calcns. gy

Kraka, Elfi; Chemical Physics; vol. 161; (1992); p. 149 - 154 ; (from Gmelin), View in Reaxys

Dissociation energy, bonding energy; Contour map; Molecular orbitals

Sironi, Maurizio; Raimondi, Mario; Cooper, David L.; Gerratt, Joseph; Journal of Molecular Structure; vol. 229; (1991); p. 279 - 289 ; (from Gmelin), View in Reaxys

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Atom distances, Electron correlaangles; Electronic tion and CI calcn. energy levels; Excited states; Population analysis, charge distribution

Marudarajan, Vijaya; Scheiner, Steve; Chemical Physics Letters; vol. 186; (1991); p. 356 - 362 ; (from Gmelin), View in Reaxys

Ionization potential, orbital energy; Dipole moment, dipole moment derivative

further quantum chemical calcns.

Gaspar, R.; Szabo, J.; Journal of Molecular Structure; vol. 227; (1991); p. 87 - 92 ; (from Gmelin), View in Reaxys

Atom distances, angles; Dipole moment, dipole moment derivative; Vibrational constants; Rotational constants; Total energy

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Karpfen, Alfred; Kurnig, Ingrid J.; Lischka, Hans; Journal of Molecular Structure; vol. 227; (1991); p. 337 - 350 ; (from Gmelin), View in Reaxys

Population analysis, charge distribution; Dipole moment, dipole moment derivative; Quadrupole moment

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Kraka, Elfi; Gauss, Juergen; Cremer, Dieter; Journal of Molecular Structure; vol. 234; (1991); p. 95 - 126 ; (from Gmelin), View in Reaxys

Population analysis, charge distribution; Dipole moment, dipole moment derivative; Quadrupole moment

Electron correlation and CI calcn.

Kraka, Elfi; Gauss, Juergen; Cremer, Dieter; Journal of Molecular Structure; vol. 234; (1991); p. 95 - 126 ; (from Gmelin), View in Reaxys

Potential energy further quantum function, potential chemical calcns. curve; Equilibrium internuclear distance; Contour map; Wave function

Jiang, Jun; Hutchinson, John S.; Journal of Chemical Physics; vol. 95; nb. 6; (1991); p. 4044 - 4055 ; (from Gmelin), View in Reaxys

267/296

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IR bands, intensi- further quantum ties, transition chemical calcns. moments; UV/VIS wave lengths

Bacic, Z.; Journal of Chemical Physics; vol. 95; nb. 5; (1991); p. 3456 - 3466 ; (from Gmelin), View in Reaxys

Vibrational constants

Empirical methods

Miller, Kenneth J.; Ganda-Kesuma, Fransiska S.; Journal of Molecular Spectroscopy; vol. 145; (1991); p. 429 - 447 ; (from Gmelin), View in Reaxys

Polarizability, polarizability derivatives; IR bands, intensities, transition moments; Wave function

Semi-empirical NDO calcns. (CNDO, INDO, MINDO, PCILO)

Wallace, D. S.; Stoneham, A. M.; Hayes, W.; Fisher, A. J.; Harker, A. H.; Journal of Physics: Condensed Matter; vol. 3; (1991); p. 3879 - 3904 ; (from Gmelin), View in Reaxys

Electron affinity; Semi-empirical Ionization poten- NDO calcns. tial, orbital energy (CNDO, INDO, MINDO, PCILO)

Lindholm, Einar; Asbrink, Leif; Ljunggren, Stig; Journal of Physical Chemistry; vol. 95; nb. 10; (1991); p. 3923 - 3941 ; (from Gmelin), View in Reaxys

Equilibrium internuclear distance; Term values; IR bands, intensities, transition moments

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Lee, Timothy J.; Rendell, Alistair P.; Chemical Physics Letters; vol. 177; (1991); p. 491 - 497 ; (from Gmelin), View in Reaxys

Population analysis, charge distribution; Correlation energy

Electron correlation and CI calcn.

Bochicchio, Roberto C.; Journal of Molecular Structure; vol. 228; (1991); p. 227 - 236 ; (from Gmelin), View in Reaxys

Atom distances, further quantum angles; Band chemical calcns. structure; Population analysis, charge distribution; Electron distribution; Molecular orbitals

Springborg; Berichte der Bunsengesellschaft/Physical Chemistry Chemical Physics; vol. 95; nb. 10; (1991); p. 1238 - 1255 ; (from Gmelin), View in Reaxys

Atom distances, further quantum angles; Band chemical calcns. structure; Population analysis, charge distribution; Electron distribution; Density of states

Springborg; Berichte der Bunsengesellschaft/Physical Chemistry Chemical Physics; vol. 95; nb. 10; (1991); p. 1238 - 1255 ; (from Gmelin), View in Reaxys

Atom distances, angles; IR bands, intensities, transition moments; Total energy

Kobayashi, Rika; Handy, Nicholas C.; Amos, Roger D.; Trucks, Gary W.; Frisch, Michael J.; Pople, John A.; The Journal of Chemical Physics; vol. 95; nb. 9; (1991); p. 6723 - 6733 ; (from Gmelin), View in Reaxys

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Atom distances, further quantum angles; IR bands, chemical calcns. intensities, transition moments; Total energy

Atom distances, Electron correlaangles; IR bands, tion and CI calcn. intensities, transition moments; Total energy

Transition energies

Gazdy, Bela; Bowman, Joel M.; Journal of Chemical Physics; vol. 95; nb. 9; (1991); p. 6309 - 6316 ; (from Gmelin), View in Reaxys

further quantum chemical calcns.

268/296

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Population analysis, charge distribution; Contour map

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Aray, Yosslen; Murgich, Juan; Luna, Miguel A.; Journal of the American Chemical Society; vol. 113; nb. 19; (1991); p. 7135 - 7143 ; (from Gmelin), View in Reaxys

Shielding conElectron correlastant; Polarizabili- tion and CI calcn. ty, polarizability derivatives

Augspurger, Joseph D.; Dykstra, Clifford E.; Journal of Physical Chemistry; vol. 95; nb. l; (1991); p. 9230 - 9238 ; (from Gmelin), View in Reaxys

Atom distances, angles; Population analysis, charge distribution; Total energy

further quantum chemical calcns.

Musaev, D. G.; Geskin, V. M.; Yakobson, V. V.; Charkin, O. P.; Russian Journal of Inorganic Chemistry (Translation of Zhurnal Neorganicheskoi Khimii); vol. 36; (1991); p. 1621 - 1624; Zhurnal Neorganicheskoi Khimii; vol. 36; (1991); p. 2889 - 2894 ; (from Gmelin), View in Reaxys

Contour map; Rotational-vibrational constants; Vibrational constants; Dissociation energy, bonding energy

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Smith, Alice M.; Klemperer, William; Lehmann, Kevin K.; Journal of Chemical Physics; vol. 94; nb. 7; (1991); p. 5040 - 5050 ; (from Gmelin), View in Reaxys

Contour map; Ro- Empirical methtational-vibration- ods al constants; Vibrational constants; Dissociation energy, bonding energy

Smith, Alice M.; Klemperer, William; Lehmann, Kevin K.; Journal of Chemical Physics; vol. 94; nb. 7; (1991); p. 5040 - 5050 ; (from Gmelin), View in Reaxys

Total energy; Atom distances, angles; Dipole moment, dipole moment derivative

further quantum chemical calcns.

Helgaker, Trygve; Chemical Physics Letters; vol. 182; (1991); p. 503 - 510 ; (from Gmelin), View in Reaxys

Vibrational constants; Atom distances, angles; Total energy

Electron correlation and CI calcn.

Dayton; Marshall, Mark D.; Miller; The Journal of Chemical Physics; vol. 95; nb. 2; (1991); p. 785 - 792 ; (from Gmelin), View in Reaxys

Equilibrium internuclear distance; IR bands, intensities, transition moments; Dipole moment, dipole moment derivative; Atom distances, angles; Vibrational constants

Electron correlation and CI calcn.

Stanton, John F.; Watts, John D.; Bartlett, Rodney J.; Journal of Chemical Physics; vol. 94; nb. 1; (1991); p. 404 - 413 ; (from Gmelin), View in Reaxys

Total energy; Contour map; Dipole moment, dipole moment derivative; Population analysis, charge distribution

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Luque; Orozco; Illas; Rubio; Journal of the American Chemical Society; vol. 113; nb. 14; (1991); p. 5203 - 5211 ; (from Gmelin), View in Reaxys

Total energy; Contour map; Dipole moment, dipole moment derivative; Population analysis,

Electron correlation and CI calcn.

Luque; Orozco; Illas; Rubio; Journal of the American Chemical Society; vol. 113; nb. 14; (1991); p. 5203 - 5211 ; (from Gmelin), View in Reaxys

269/296

2018-01-18 00:45:07

charge distribution Total energy; Pro- Ab initio calcns. ton affinity (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Schneider, William F.; Narula, Chaitanya K.; Noeth, Heinrich; Bursten, Bruce E.; Inorganic Chemistry; vol. 30; (1991); p. 3919 3927, View in Reaxys; Marriott, Stephen; Topsom, Ronald D.; Lebrilla, Carlito B.; Koppel, Ilmar; Mishima, Masaaki; Taft, Robert W.; Journal of Molecular Structure; vol. 137; (1986); p. 133 - 142 ; (from Gmelin), View in Reaxys

Molecular orbitals

Semi-empirical NDO calcns. (CNDO, INDO, MINDO, PCILO)

Foster, J. P.; Weinhold, F.; Journal of the American Chemical Society; vol. 102; nb. 24; (1980); p. 7211 - 7218, View in Reaxys; Kharabaev, N. N.; Sov. J. Coord. Chem. (Engl. Transl.); vol. 17; (1991); p. 231 - 237; Koordinatsionnaya Khimiya; vol. 17; (1991); p. 435 - 442 ; (from Gmelin), View in Reaxys

Dipole moment, dipole moment derivative; Polarizability, polarizability derivatives

Semi-empirical NDO calcns. (CNDO, INDO, MINDO, PCILO)

Rhee, C. H.; Metzger, R. M.; Wiygul, F. M.; Journal of Chemical Physics; vol. 77; nb. 2; (1982); p. 899 - 915, View in Reaxys; Chandra, Asit K.; Banerjee, M.; Journal of Molecular Structure; vol. 236; (1991); p. 193 - 200 ; (from Gmelin), View in Reaxys

Atom distances, angles; Equilibrium internuclear distance

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Kikuchi, Osamu; Wang, Hui; Nakano, Tatsuya; Morihashi, Kenji; Journal of Molecular Structure; vol. 205; (1990); p. 301 - 316 ; (from Gmelin), View in Reaxys

Dipole moment, dipole moment derivative; Electric field gradient

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Almeida, Wagner B. de; Chemical Physics Letters; vol. 166; (1990); p. 589 - 598 ; (from Gmelin), View in Reaxys

Vibrational confurther quantum stants; Force conchemical calcns. stant

Szalay, Viktor; Journal of Chemical Physics; vol. 92; nb. 6; (1990); p. 3633 - 3644 ; (from Gmelin), View in Reaxys

Total energy; Wave function

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Magnusson, Eric; Journal of the American Chemical Society; vol. 112; nb. 22; (1990); p. 7940 - 7951 ; (from Gmelin), View in Reaxys

Atom distances, angles; IR bands, intensities, transition moments; Total energy; Population analysis, charge distribution; Molecular orbitals

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Dixon, David A.; Arduengo, Anthony J.; Inorganic Chemistry; vol. 29; (1990); p. 970 - 975 ; (from Gmelin), View in Reaxys

Electron distribution; Atom distances, angles; Population analysis, charge distribution

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Ikuta, S.; Ishikawa, M.; Katada, M.; Sano, H.; Acta Crystallographica, Section B: Structural Science; vol. 46; nb. 1; (1990); p. 23 - 27 ; (from Gmelin), View in Reaxys

Potential energy further quantum function, potential chemical calcns. curve; Transition energies; Contour map

Gazdy, Bela; Bowman, Joel M.; Chemical Physics Letters; vol. 175; (1990); p. 434 - 440 ; (from Gmelin), View in Reaxys

Equilibrium internuclear distance; Dipole moment, dipole moment derivative; Rotational-vibrational constants; Rota-

Allen, Wesley D.; Yamaguchi, Yukio; Csaszar, Attila G.; Clabo, D. Allen Jr.; Remington, Richard B.; Schaefer, Henry F. III; Chemical Physics; vol. 145; (1990); p. 427 - 466 ; (from Gmelin), View in Reaxys

Electron correlation and CI calcn.

270/296

2018-01-18 00:45:07

tional constants; Centrifugal distortion Force constant; Equilibrium internuclear distance; Dipole moment, dipole moment derivative; Rotational-vibrational constants; Rotational constants

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Vibrational conElectron correlastants; Force con- tion and CI calcn. stant

Centrifugal distortion; Total energy; Vibrational constants

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Quadrupole moment

Semi-empirical NDO calcns. (CNDO, INDO, MINDO, PCILO)

Cummins, Peter L.; Gready, Jill E.; Chemical Physics Letters; vol. 174; (1990); p. 355 - 360 ; (from Gmelin), View in Reaxys

NMR shifts, signals, intensities, transition moments

Semi-empirical NDO calcns. (CNDO, INDO, MINDO, PCILO)

Wu, Wei-Xiong; You, Xiao-Zeng; Dai, An-Bang; Jing, Shou-Ping; Polyhedron; vol. 9; (1990); p. 1849 - 1854 ; (from Gmelin), View in Reaxys

Atom distances, angles; Rotational constants; Vibrational constants; Total energy; Dipole moment, dipole moment derivative

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Chattopadhyay, Soumitra; Plummer, Patricia L. Moore; Journal of Chemical Physics; vol. 93; nb. 6; (1990); p. 4187 - 4191 ; (from Gmelin), View in Reaxys

Atom distances, Electron correlaangles; Rotational tion and CI calcn. constants; Vibrational constants; Total energy; Dipole moment, dipole moment derivative

Chattopadhyay, Soumitra; Plummer, Patricia L. Moore; Journal of Chemical Physics; vol. 93; nb. 6; (1990); p. 4187 - 4191 ; (from Gmelin), View in Reaxys

Electric field gradient; Total energy; Ionization potential, orbital energy

Electron correlation and CI calcn.

Peterson, Kirk A.; Mayrhofer, Rudolph C.; Woods, R. Claude; Journal of Chemical Physics; vol. 93; nb. 7; (1990); p. 4946 - 4953 ; (from Gmelin), View in Reaxys

Atom distances, angles; Total energy; IR bands, intensities, transition moments

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Dayton, D. C.; Pedersen, L. G.; Miller, R. E.; Journal of Chemical Physics; vol. 93; nb. 7; (1990); p. 4560 - 4570 ; (from Gmelin), View in Reaxys

Equilibrium inter- Electron correlanuclear distance; tion and CI calcn. Rotational constants; Dipole moment, dipole moment derivative; Total energy; Vibrational constants

Kurnig, Ingrid J.; Lischka, Hans; Karpfen, Alfred; Journal of Chemical Physics; vol. 92; nb. 4; (1990); p. 2469 - 2477 ; (from Gmelin), View in Reaxys

271/296

2018-01-18 00:45:07

Dipole moment, dipole moment derivative; Quadrupole moment

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Novak, Igor; Zeitschrift fuer Physikalische Chemie (Muenchen, Germany); vol. 167; nb. 2; (1990); p. 251 - 254, View in Reaxys; Hinchliffe, Alan; Journal of Molecular Structure; vol. 136; (1986); p. 193 - 200 ; (from Gmelin), View in Reaxys

Total energy; Dipole moment, dipole moment derivative; Quadrupole moment; Polarizability, polarizability derivatives

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Fowler, P. W.; Diercksen, G. H. F.; Chemical Physics Letters; vol. 167; (1990); p. 105 - 110, View in Reaxys; Rijdt, Jeanne G. C. M. Van Duijnev.; Duijneveldt, Frans B. Van; Journal of Molecular Structure; vol. 89; (1982); p. 185 - 202 ; (from Gmelin), View in Reaxys

Polarizability, polarizability derivatives

Semi-empirical NDO calcns. (CNDO, INDO, MINDO, PCILO)

Abrouk-Benkhemou, Malika; Gayoso, Jose; Comptes Rendus de l'Academie des Sciences, Serie II: Mecanique, Physique, Chimie, Sciences de la Terre et de l'Univers; vol. 311; (1990); p. 65 - 68, View in Reaxys; Semenov, S. G.; Tulub, A. V.; Optics and Spectroscopy (Translation of Optika i Spektroskopiya); vol. 53; (1982); p. 245 - 248; Optika i Spektroskopiya; vol. 53; (1982); p. 415 - 420 ; (from Gmelin), View in Reaxys

IR bands, intensities, transition moments; Atom distances, angles; Total energy

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Block, P. A.; Jucks, K. W.; Pedersen, L. G.; Miller, R. E.; Chemical Physics; vol. 139; (1989); p. 15 - 30 ; (from Gmelin), View in Reaxys

Total energy; Electric field gradient; Quadrupole moment

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Gerber, Stefan; Huber, Hanspeter; Chemical Physics; vol. 134; (1989); p. 279 - 286 ; (from Gmelin), View in Reaxys

Total energy; Electron correlaElectric field gra- tion and CI calcn. dient; Quadrupole moment

Gerber, Stefan; Huber, Hanspeter; Chemical Physics; vol. 134; (1989); p. 279 - 286 ; (from Gmelin), View in Reaxys

Total energy; Dipole moment, dipole moment derivative; Population analysis, charge distribution

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Almeida, Wagner B. de; Hinchliffe, Alan; Chemical Physics; vol. 137; (1989); p. 143 - 156 ; (from Gmelin), View in Reaxys

Contour map; Vibrational constants

further quantum chemical calcns.

Fleming, Patrick R.; Hutchinson, John S.; Journal of Chemical Physics; vol. 90; nb. 3; (1989); p. 1735 - 1745 ; (from Gmelin), View in Reaxys

Molecular orbitals; Electronic energy levels; Population analysis, charge distribution; Dipole moment, dipole moment derivative

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Frecer, V.; Majekova, M.; Miertush, S.; Journal of Molecular Structure; vol. 183; (1989); p. 403 - 419 ; (from Gmelin), View in Reaxys

Molecular orbitals; Electronic energy levels; Population analysis, charge distribution; Dipole moment, dipole moment derivative

Semi-empirical NDO calcns. (CNDO, INDO, MINDO, PCILO)

Frecer, V.; Majekova, M.; Miertush, S.; Journal of Molecular Structure; vol. 183; (1989); p. 403 - 419 ; (from Gmelin), View in Reaxys

272/296

2018-01-18 00:45:07

Rotational-vibrational constants; Vibrational constants; Force constant

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Duran, Miquel; Yamaguchi, Yukio; Remington, Richard B.; Osamura, Yoshihiro; Schaaefer, Henry F.; Journal of Chemical Physics; vol. 90; nb. 1; (1989); p. 334 - 345 ; (from Gmelin), View in Reaxys

Atom distances, angles; IR bands, intensities, transition moments

Electron correlation and CI calcn.

Guo, Hong; Karplus, Martin; Journal of Chemical Physics; vol. 91; nb. 3; (1989); p. 1719 - 1733 ; (from Gmelin), View in Reaxys

Molecular orbitals; Equilibrium internuclear distance

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Sheehy, J. A.; Gil, T. J.; Winstead, C. L.; Farren, R. E.; Langhoff, P. W.; Journal of Chemical Physics; vol. 91; nb. 3; (1989); p. 1796 1812 ; (from Gmelin), View in Reaxys

Atom distances, angles; Vibrational constants; Dipole moment, dipole moment derivative

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

De Almeida, Wagner B.; Craw, J. Simon; Hinchliffe, Alan; Journal of Molecular Structure; vol. 184; (1989); p. 381 - 390 ; (from Gmelin), View in Reaxys

Equilibrium internuclear distance; Force constant

Electron correlation and CI calcn.

Botschwina, Peter; Journal of Chemical Physics; vol. 90; nb. 8; (1989); p. 4301 - 4313 ; (from Gmelin), View in Reaxys

Dimerization energy

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Sychev, O. F.; Ivasenko, V. L.; Theoretical and Experimental Chemistry; vol. 25; (1989); p. 396 - 400; Teoreticheskaya i Eksperimental'naya Khimiya; vol. 25; (1989); p. 427 - 432 ; (from Gmelin), View in Reaxys

Atom distances, angles; Dipole moment, dipole moment derivative; Total energy; Polarizability, polarizability derivatives

Electron correlation and CI calcn.

Spackman, Mark A.; Journal of Physical Chemistry; vol. 93; nb. 22; (1989); p. 7594 - 7603 ; (from Gmelin), View in Reaxys

Polarizability, polarizability derivatives; Dipole moment, dipole moment derivative; Total energy

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Spackman, Mark A.; Journal of Physical Chemistry; vol. 93; nb. 22; (1989); p. 7594 - 7603 ; (from Gmelin), View in Reaxys

Population analysis, charge distribution; Electric field gradient

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Aray, Yosslen; Murgich, Juan; Journal of Chemical Physics; vol. 91; nb. 1; (1989); p. 293 - 299 ; (from Gmelin), View in Reaxys

Total energy; Dipole moment, dipole moment derivative; Ionization potential, orbital energy; Population analysis, charge distribution; Potential energy function, potential curve

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Almeida, W. B. De; Hinchliffe, A.; Journal of Molecular Structure; vol. 198; (1989); p. 17 - 30 ; (from Gmelin), View in Reaxys

Total energy; Atom distances, angles; Population analysis, charge distribu-

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

MacDougall, Preston J.; Schrobilgen, Gary J.; Bader, Richard F. W.; Inorganic Chemistry; vol. 28; (1989); p. 763 - 769 ; (from Gmelin), View in Reaxys

273/296

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tion; Electric field gradient Total energy; Dipole moment, dipole moment derivative; Polarizability, polarizability derivatives

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Niwa, Jun; Bulletin of the Chemical Society of Japan; vol. 62; nb. 1; (1989); p. 226 - 233 ; (from Gmelin), View in Reaxys

Electric field gradient

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Baker, Jon; Buckingham, David A.; Fowler, Patrick W.; Steiner, Erich; Lazzeretti, Paolo; Zanasi, Riccardo; Journal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics; vol. 85; (1989); p. 901 - 914, View in Reaxys; Gerber, Stefan; Huber, Hanspeter; Zeitschrift fuer Naturforschung, Teil A: Physik, Physikalische Chemie, Kosmophysik; vol. 42; (1987); p. 753 - 760, View in Reaxys; Liu, Shi-yi; Dykstra, Clifford E.; Chemical Physics; vol. 115; (1987); p. 461 - 468 ; (from Gmelin), View in Reaxys

Quadrupole moment

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Almeida, W. B. De; Hinchliffe, A.; Journal of Molecular Structure; vol. 198; (1989); p. 17 - 30, View in Reaxys; Hinchliffe, Alan; Journal of Molecular Structure; vol. 108; (1984); p. 313 - 316 ; (from Gmelin), View in Reaxys

Atom distances, angles; Force constant

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Herrera, O. M.; Bruns, R. E.; Neto, B. B.; Journal of Chemical Physics; vol. 90; nb. 12; (1989); p. 6933 - 6939, View in Reaxys; Sellers, Harrell; Chemical Physics Letters; vol. 115; (1985); p. 401 - 404, View in Reaxys; Peric, Miljenko; Mladenovic, Mirjana; Peyerimhoff, Sigrid D.; Buenker, Robert J.; Chemical Physics; vol. 82; (1983); p. 317 - 336, View in Reaxys; Clark, D. T.; Colling, L.; Journal of Electron Spectroscopy and Related Phenomena; vol. 13; (1978); p. 317 - 326 ; (from Gmelin), View in Reaxys

Force constant

further quantum chemical calcns.

Oles, Andrzej M.; Pfirsch, Frank; Boehm, Michael C.; Chemical Physics; vol. 120; (1988); p. 65 - 78 ; (from Gmelin), View in Reaxys

Force constant

Semi-empirical NDO calcns. (CNDO, INDO, MINDO, PCILO)

Oles, Andrzej M.; Pfirsch, Frank; Boehm, Michael C.; Chemical Physics; vol. 120; (1988); p. 65 - 78 ; (from Gmelin), View in Reaxys

Total energy; Atom distances, angles; Dipole moment, dipole moment derivative; Polarizability, polarizability derivatives; Population analysis, charge distribution

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Hennico, Genevieve; Delhalle, Joseph; Raynaud, Michele; Reynaud, Cecile; Ellinger, Yves; Chemical Physics Letters; vol. 152; (1988); p. 207 - 214 ; (from Gmelin), View in Reaxys

Atom distances, angles; Population analysis, charge distribution; Force constant

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Maksic, Z. B.; Eckert-Maksic, M.; Journal of Molecular Structure; vol. 169; (1988); p. 447 - 458 ; (from Gmelin), View in Reaxys

Atom distances, angles; Population analysis, charge distribution; Force constant; Dissociation energy, bonding energy

Semi-empirical NDO calcns. (CNDO, INDO, MINDO, PCILO)

Maksic, Z. B.; Eckert-Maksic, M.; Journal of Molecular Structure; vol. 169; (1988); p. 447 - 458 ; (from Gmelin), View in Reaxys

Atom distances, Ab initio calcns. angles; Total en(LCAO, GO SCF, ergy; Proton affin- DIM, SAMO, X-ality; Excited states

Martin, Peter S.; Yates, Keith; Csizmadia, Imre G.; Journal of Molecular Structure; vol. 167; (1988); p. 307 - 320 ; (from Gmelin), View in Reaxys

274/296

2018-01-18 00:45:07

pha, HartreeFock) Atom distances, angles; Polarizability, polarizability derivatives; Dipole moment, dipole moment derivative; IR bands, intensities, transition moments; Total energy

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Duran, Miquel; Yamaguchi, Yukio; Remington, Richard B.; Schaefer, Henry F. III; Chemical Physics; vol. 122; (1988); p. 201 232 ; (from Gmelin), View in Reaxys

Molecular orbitals; Ionization potential, orbital energy

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Cao, Xiaoping; Wang, Jiazhen; Chemical Physics Letters; vol. 146; (1988); p. 41 - 46 ; (from Gmelin), View in Reaxys

Atom distances, angles; Dipole moment, dipole moment derivative; Ionization potential, orbital energy

Semi-empirical NDO calcns. (CNDO, INDO, MINDO, PCILO)

Pilipenko, A. T.; Zaets, V. A.; Falendysh, E. R.; Gorlov, Yu. I.; Theoretical and Experimental Chemistry; vol. 24; (1988); p. 682 - 686; Teoreticheskaya i Eksperimental'naya Khimiya; vol. 24; (1988); p. 713 - 717 ; (from Gmelin), View in Reaxys

Dipole moment, dipole moment derivative; Population analysis, charge distribution; Total energy

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Ding, Fu-Jiang; Zhang, Liang-Fu; Li, Guang-Nian; Chemical Physics Letters; vol. 150; (1988); p. 55 - 59 ; (from Gmelin), View in Reaxys

IR bands, intensities, transition moments; Electronic energy levels

further quantum chemical calcns.

Brunet, Jean-Philippe; Friesner, Richard A.; Wyatt, Robert E.; Leforestier, Claude; Chemical Physics Letters; vol. 153; (1988); p. 425 - 432 ; (from Gmelin), View in Reaxys

Electronic energy levels; Vibrational constants; IR bands, intensities, transition moments; Wave function; Excited states

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Peric, M.; Buenker, R. J.; Peyerimhoff, S. D.; Molecular Physics; vol. 64; (1988); p. 843 - 864 ; (from Gmelin), View in Reaxys

Electronic energy Electron correlalevels; Vibrational tion and CI calcn. constants; IR bands, intensities, transition moments; Wave function; Excited states

Peric, M.; Buenker, R. J.; Peyerimhoff, S. D.; Molecular Physics; vol. 64; (1988); p. 843 - 864 ; (from Gmelin), View in Reaxys

UV/VIS wave lengths; Potential energy function, potential curve

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Peric, M.; Buenker, R. J.; Peyerimhoff, S. D.; Molecular Physics; vol. 64; (1988); p. 843 - 864 ; (from Gmelin), View in Reaxys

UV/VIS wave lengths; Potential energy function, potential curve

Electron correlation and CI calcn.

Peric, M.; Buenker, R. J.; Peyerimhoff, S. D.; Molecular Physics; vol. 64; (1988); p. 843 - 864 ; (from Gmelin), View in Reaxys

Total energy; Population analysis, charge distribution; Polariza-

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-al-

Carroll, Marshall T.; Bader, Richard F. W.; Molecular Physics; vol. 65; (1988); p. 695 - 722 ; (from Gmelin), View in Reaxys

275/296

2018-01-18 00:45:07

bility, polarizability pha, Hartreederivatives; Atom Fock) distances, angles Electron affinity; Other semi-empirIonization poten- ical calcns. tial, orbital energy (Hueckel, PPP)

Lindholm, Einar; Li, Jing; Journal of Physical Chemistry; vol. 92; nb. 7; (1988); p. 1731 - 1738 ; (from Gmelin), View in Reaxys

Dipole moment, Electron correladipole moment tion and CI calcn. derivative; IR bands, intensities, transition moments; Potential energy function, potential curve; Vibrational constants; Equilibrium internuclear distance

Botschina, Peter; Journal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics; vol. 84; (1988); p. 1263 1276 ; (from Gmelin), View in Reaxys

Force constant

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Steele, D.; Person, Willis B.; Brown, K. G.; Journal of Physical Chemistry; vol. 85; nb. 14; (1981); p. 2007 - 2012, View in Reaxys; Oles, Andrzej M.; Pfirsch, Frank; Boehm, Michael C.; Chemical Physics; vol. 120; (1988); p. 65 - 78, View in Reaxys; Sellers, Harrell; Chemical Physics Letters; vol. 119; (1985); p. 281 - 284 ; (from Gmelin), View in Reaxys

Polarizability, polarizability derivatives; Atom distances, angles

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Sylvain, Maurice G.; Csizmadia, I. G.; Chemical Physics Letters; vol. 136; (1987); p. 575 - 582 ; (from Gmelin), View in Reaxys

Atom distances, angles; Dissociation energy, bonding energy; Ionization potential, orbital energy

Semi-empirical NDO calcns. (CNDO, INDO, MINDO, PCILO)

Rasch, G.; Bauwe, E.; Zeitschrift fuer Physikalische Chemie (Leipzig); vol. 268; nb. 4; (1987); p. 653 - 665 ; (from Gmelin), View in Reaxys

Total energy; Dipole moment, dipole moment derivative; Quadrupole moment

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Sokalski, W. A.; Sawaryn, A.; Journal of Chemical Physics; vol. 87; nb. 1; (1987); p. 526 - 534 ; (from Gmelin), View in Reaxys

Equilibrium internuclear distance; Dipole moment, dipole moment derivative; Total energy; Vibrational constants; IR bands, intensities, transition moments

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Kofranek, M.; Lischka, H.; Karpfen, A.; Molecular Physics; vol. 61; (1987); p. 1519 - 1540 ; (from Gmelin), View in Reaxys

Equilibrium inter- Electron correlanuclear distance; tion and CI calcn. Dipole moment, dipole moment derivative; Total energy; Vibrational constants; IR bands, intensities, transition moments

Kofranek, M.; Lischka, H.; Karpfen, A.; Molecular Physics; vol. 61; (1987); p. 1519 - 1540 ; (from Gmelin), View in Reaxys

Rotational constants

Electron correlation and CI calcn.

Kofranek, M.; Lischka, H.; Karpfen, A.; Molecular Physics; vol. 61; (1987); p. 1519 - 1540 ; (from Gmelin), View in Reaxys

Potential energy function, potential

Electron correlation and CI calcn.

Peric, M.; Buenker, R. J.; Peyerimhoff, S. D.; Molecular Physics; vol. 62; (1987); p. 1323 - 1338 ; (from Gmelin), View in Reaxys

276/296

2018-01-18 00:45:07

curve; Vibrational constants Total energy; Dipole moment, dipole moment derivative; Electric field gradient; Quadrupole moment

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Rendell, Alistair P. L.; Bacskay, George B.; Hush, Noel S.; Handy, Nicholas C.; Journal of Chemical Physics; vol. 87; nb. 10; (1987); p. 5976 - 5986 ; (from Gmelin), View in Reaxys

Total energy; Dipole moment, dipole moment derivative; Electric field gradient; Quadrupole moment

Electron correlation and CI calcn.

Rendell, Alistair P. L.; Bacskay, George B.; Hush, Noel S.; Handy, Nicholas C.; Journal of Chemical Physics; vol. 87; nb. 10; (1987); p. 5976 - 5986 ; (from Gmelin), View in Reaxys

Total energy; Atom distances, angles; Potential energy function, potential curve; Ionization potential, orbital energy; Population analysis, charge distribution

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Raabe, Gerhard; Schleker, Wolfgang; Strassburger, Wolfgang; Heyne, Eberhard; Fleischhauer, Joerg; Zeitschrift fuer Naturforschung, Teil A: Physik, Physikalische Chemie, Kosmophysik; vol. 42; (1987); p. 1027 - 1036 ; (from Gmelin), View in Reaxys

Correlation energy

Semi-empirical NDO calcns. (CNDO, INDO, MINDO, PCILO)

Oles, Andrzej M.; Fulde, Peter; Boehm, Michael C.; Chemical Physics; vol. 117; (1987); p. 385 - 404 ; (from Gmelin), View in Reaxys

Total energy; Electric field gradient; Dipole moment, dipole moment derivative

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Cummins, Peter L.; Bacskay, Goerge B.; Hush, Noel S.; Chemical Physics; vol. 115; (1987); p. 325 - 338 ; (from Gmelin), View in Reaxys

Total energy; Electric field gradient; Dipole moment, dipole moment derivative

Electron correlation and CI calcn.

Cummins, Peter L.; Bacskay, Goerge B.; Hush, Noel S.; Chemical Physics; vol. 115; (1987); p. 325 - 338 ; (from Gmelin), View in Reaxys

Wave function; Correlation energy; Molecular orbitals

Semi-empirical NDO calcns. (CNDO, INDO, MINDO, PCILO)

Oles, A. M.; Pfirsch, F.; Fulde, P.; Boehm, M. C.; Zeitschrift fuer Physik [Sektion] B: Condensed Matter and Quanta; vol. 66; (1987); p. 359 - 362 ; (from Gmelin), View in Reaxys

Equilibrium internuclear distance; Total energy; Dipole moment, dipole moment derivative; IR bands, intensities, transition moments

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Kofranek, Manfred; Karpfen, Alfred; Lischka, Hans; Chemical Physics; vol. 113; (1987); p. 53 - 64 ; (from Gmelin), View in Reaxys

IR bands, intensities, transition moments; Dipole moment, dipole moment derivative; Atom distances, angles

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Simandiras, E. D.; Amos, R. D.; Handy, N. C.; Chemical Physics; vol. 114; (1987); p. 9 - 20 ; (from Gmelin), View in Reaxys

IR bands, intensities, transition moments; Dipole moment, dipole moment deriva-

Electron correlation and CI calcn.

Simandiras, E. D.; Amos, R. D.; Handy, N. C.; Chemical Physics; vol. 114; (1987); p. 9 - 20 ; (from Gmelin), View in Reaxys

277/296

2018-01-18 00:45:07

tive; Atom distances, angles Excited states; Electron correlaPotential energy tion and CI calcn. function, potential curve; Transition energies; Dissociation energy, bonding energy; Equilibrium internuclear distance

Peric, M.; Dohmann, H.; Peyerimhoff, S. D.; Buenker, Robert J.; Zeitschrift fuer Physik D: Atoms, Molecules and Clusters; vol. 5; (1987); p. 65 - 76 ; (from Gmelin), View in Reaxys

Dipole moment, dipole moment derivative; Electronic energy levels; Molecular orbitals

further quantum chemical calcns.

Deakyne, Carol A.; Meot-Ner, Michael (Mautner); Buckley, Thomas J.; Metz, Ricardo; Journal of Chemical Physics; vol. 86; (1987); p. 2334 - 2342 ; (from Gmelin), View in Reaxys

Total energy; Electric field gradient

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Cummins, Peter L.; Bacskay, George B.; Hush, Noel S.; Ahlrichs, Reinhart; Journal of Chemical Physics; vol. 86; nb. 12; (1987); p. 6908 - 6917 ; (from Gmelin), View in Reaxys

Correlation energy; Electric field gradient; Quadrupole moment

Electron correlation and CI calcn.

Cummins, Peter L.; Bacskay, George B.; Hush, Noel S.; Ahlrichs, Reinhart; Journal of Chemical Physics; vol. 86; nb. 12; (1987); p. 6908 - 6917 ; (from Gmelin), View in Reaxys

Dissociation ener- Ab initio calcns. gy, bonding ener- (LCAO, GO SCF, gy; Total energy DIM, SAMO, X-alpha, HartreeFock)

Nobes, Ross H.; Pople, John A.; Radom, Leo; Handy, Nicholas C.; Knowles, Peter J.; Chemical Physics Letters; vol. 138; (1987); p. 481 - 485 ; (from Gmelin), View in Reaxys

Rotational constants

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

DeFrees, D. J.; Binkley, J. S.; McLean, A. D.; Journal of Chemical Physics; vol. 80; nb. 8; (1984); p. 3720 - 3725, View in Reaxys; Kofranek, M.; Lischka, H.; Karpfen, A.; Molecular Physics; vol. 61; (1987); p. 1519 - 1540 ; (from Gmelin), View in Reaxys

Total energy; Dipole moment, dipole moment derivative; Quadrupole moment; Polarizability, polarizability derivatives; Potential energy function, potential curve

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Jain, Ashok; Norcross, D. W.; Journal of Chemical Physics; vol. 84; nb. 2; (1986); p. 739 - 744 ; (from Gmelin), View in Reaxys

Atom distances, angles; NQR quadrupole splitting; Electric field gradient; Total energy

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Scuseria, Gustavo E.; Lee, Timothy J.; Saykally, Richard J.; Schaefer, Henry F.; Journal of Chemical Physics; vol. 84; nb. 10; (1986); p. 5711 - 5714 ; (from Gmelin), View in Reaxys

Atom distances, Electron correlaangles; NQR tion and CI calcn. quadrupole splitting; Electric field gradient; Total energy

Scuseria, Gustavo E.; Lee, Timothy J.; Saykally, Richard J.; Schaefer, Henry F.; Journal of Chemical Physics; vol. 84; nb. 10; (1986); p. 5711 - 5714 ; (from Gmelin), View in Reaxys

Correlation energy; Atom distances, angles

Ewig, Carl S.; Wazer, John R. Van; Journal of Physical Chemistry; vol. 90; nb. 18; (1986); p. 4360 - 4363 ; (from Gmelin), View in Reaxys

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

278/296

2018-01-18 00:45:07

Correlation energy; Atom distances, angles

Electron correlation and CI calcn.

Ewig, Carl S.; Wazer, John R. Van; Journal of Physical Chemistry; vol. 90; nb. 18; (1986); p. 4360 - 4363 ; (from Gmelin), View in Reaxys

Dipole moment, dipole moment derivative; IR bands, intensities, transition moments; Wave function; Atom distances, angles

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Yamaguchi, Yukio; Frisch, Michael; Gaw, Jeffrey; Schaefer, Henry F.; Binkley, J. Stephen; Journal of Chemical Physics; vol. 84; nb. 4; (1986); p. 2262 - 2278 ; (from Gmelin), View in Reaxys

Dipole moment, Electron correladipole moment tion and CI calcn. derivative; IR bands, intensities, transition moments; Wave function; Atom distances, angles

Yamaguchi, Yukio; Frisch, Michael; Gaw, Jeffrey; Schaefer, Henry F.; Binkley, J. Stephen; Journal of Chemical Physics; vol. 84; nb. 4; (1986); p. 2262 - 2278 ; (from Gmelin), View in Reaxys

Population analysis, charge distribution; Total energy; Electronic energy levels; Atom distances, angles; Equilibrium internuclear distance

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Hinchliffe, Alan; Journal of Molecular Structure; vol. 136; (1986); p. 193 - 200 ; (from Gmelin), View in Reaxys

Electron distribution; Population analysis, charge distribution

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Takano, Keiko; Hosoya, Haruo; Iwata, Suehiro; Nippon Kagaku Kaishi (Journal of the Chemical Society of Japan); vol. 61; (1986); p. 1395 - 1403 ; (from Gmelin), View in Reaxys

Dipole moment, dipole moment derivative; Polarizability, polarizability derivatives; Total energy; Shielding constant

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Zanasi, Riccardo; Lazzeretti, Paolo; Journal of Chemical Physics; vol. 85; nb. 10; (1986); p. 5932 - 5935 ; (from Gmelin), View in Reaxys

Atom distances, angles; Vibrational constants; Force constant; Rotational-vibrational constants

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Gaw, Jeffrey F.; Yamaguchi, Yukio; Schaefer, Henry F.; Handy, Nicholas C.; Journal of Chemical Physics; vol. 85; nb. 9; (1986); p. 5132 - 5142 ; (from Gmelin), View in Reaxys

Correlation energy; Force constant

Semi-empirical NDO calcns. (CNDO, INDO, MINDO, PCILO)

Oles, Andrzej M.; Pfirsch, Frank; Fulde, Peter; Boehm, Michael C.; Journal of Chemical Physics; vol. 85; nb. 9; (1986); p. 5183 5193 ; (from Gmelin), View in Reaxys

Equilibrium internuclear distance

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Botschwina, Peter; Chemical Physics Letters; vol. 124; (1986); p. 382 - 390 ; (from Gmelin), View in Reaxys

Potential energy function, potential curve; Dipole moment, dipole moment derivative; Equilibrium internuclear distance; Proton affinity

Electron correlation and CI calcn.

Botschwina, Peter; Chemical Physics Letters; vol. 124; (1986); p. 382 - 390 ; (from Gmelin), View in Reaxys

279/296

2018-01-18 00:45:07

Electronic energy Electron correlalevels; Force con- tion and CI calcn. stant; Total energy; Wave function

Dunn, Kevin M.; Boggs, James E.; Pulay, Peter; Journal of Chemical Physics; vol. 85; nb. 10; (1986); p. 5838 - 5846 ; (from Gmelin), View in Reaxys

Electronic energy levels; Total energy; Force constant

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Dunn, Kevin M.; Boggs, James E.; Pulay, Peter; Journal of Chemical Physics; vol. 85; nb. 10; (1986); p. 5838 - 5846 ; (from Gmelin), View in Reaxys

Proton affinity

Semi-empirical NDO calcns. (CNDO, INDO, MINDO, PCILO)

Novoa, Juan J.; Journal of Molecular Structure; vol. 136; (1986); p. 361 - 370, View in Reaxys; DeKock, Roger L.; Jasperse, Craig P.; Inorganic Chemistry; vol. 22; (1983); p. 3839 - 3843 ; (from Gmelin), View in Reaxys

Electronic energy levels

further quantum chemical calcns.

Mukherjee, P. K.; Chong, D. P.; Chemical Physics Letters; vol. 120; (1985); p. 163 - 166 ; (from Gmelin), View in Reaxys

Correlation energy; Total energy

further quantum chemical calcns.

Galasso, V.; Journal of Chemical Physics; vol. 82; nb. 2; (1985); p. 899 - 904 ; (from Gmelin), View in Reaxys

Ionization potential, orbital energy; Dipole moment, dipole moment derivative; Atom distances, angles

Semi-empirical NDO calcns. (CNDO, INDO, MINDO, PCILO)

Dewar, Michael J. S.; Zoebisch, Eve G.; Healy, Eamonn F.; Stewart, James J. P.; Journal of the American Chemical Society; vol. 107; nb. 13; (1985); p. 3902 - 3909 ; (from Gmelin), View in Reaxys

Atom distances, angles; Dipole moment, dipole moment derivative; Quadrupole moment

further quantum chemical calcns.

Buckingham, A. D.; Fowler, P. W.; Canadian Journal of Chemistry; vol. 63; (1985); p. 2018 - 2025 ; (from Gmelin), View in Reaxys

Atom distances, angles; Vibrational constants; Force constant; Dipole moment, dipole moment derivative; Vibrational amplitudes

Electron correlation and CI calcn.

Joergensen, Uffe G.; Almloef, Jan; Gustafsson, Bengt; Larsson, Mats; Siegbahn, Per; Journal of Chemical Physics; vol. 83; nb. 6; (1985); p. 3034 - 3041 ; (from Gmelin), View in Reaxys

IR bands, intensities, transition moments; Equilibrium internuclear distance; Vibrational constants

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Lee, Timothy J.; Schaefer, Henry F.; Journal of Chemical Physics; vol. 83; nb. 4; (1985); p. 1784 - 1794 ; (from Gmelin), View in Reaxys

Atom distances, angles; Excited states

Semi-empirical NDO calcns. (CNDO, INDO, MINDO, PCILO)

Lee, H. Y.; Jaffe, H. H.; Journal of Molecular Structure; vol. 123; (1985); p. 301 - 316 ; (from Gmelin), View in Reaxys

Atom distances, Ab initio calcns. angles; Electronic (LCAO, GO SCF, energy levels DIM, SAMO, X-alpha, HartreeFock)

Lohr, Lawrence L.; Journal of Physical Chemistry; vol. 89; nb. 16; (1985); p. 3465 - 3470 ; (from Gmelin), View in Reaxys

Electronic energy levels

Electron correlation and CI calcn.

Lohr, Lawrence L.; Journal of Physical Chemistry; vol. 89; nb. 16; (1985); p. 3465 - 3470 ; (from Gmelin), View in Reaxys

Shielding constant

Other semi-empirical calcns. (Hueckel, PPP)

Freier, David G.; Fenske, Richard F.; Xiao-Zeng, You; Journal of Chemical Physics; vol. 83; nb. 7; (1985); p. 3526 - 3537 ; (from Gmelin), View in Reaxys

Population analysis, charge distri-

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-al-

Cao, H. Z.; Allavena, M.; Tapia, O.; Evleth, E. M.; Journal of Physical Chemistry; vol. 89; nb. 9; (1985); p. 1581 - 1592 ; (from Gmelin), View in Reaxys

280/296

2018-01-18 00:45:07

bution; Atom distances, angles

pha, HartreeFock)

Molecular orbitals; Population analysis, charge distribution

Semi-empirical NDO calcns. (CNDO, INDO, MINDO, PCILO)

Bhattacharjee, S.; Kar, Tapas; Sannigrahi, A. B.; Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical & Analytical; vol. 24; nb. 4; (1985); p. 276 - 284 ; (from Gmelin), View in Reaxys

IR bands, intensities, transition moments

Semi-empirical NDO calcns. (CNDO, INDO, MINDO, PCILO)

Shatokhin; Gribov; Perelygin; Journal of applied spectroscopy; vol. 43; nb. 2; (1985); p. 896 - 900 ; (from Gmelin), View in Reaxys

Equilibrium internuclear distance

Semi-empirical NDO calcns. (CNDO, INDO, MINDO, PCILO)

Shatokhin, S. A.; Gribov, L. A.; Perelygin, I. S.; Journal of Structural Chemistry; vol. 26; (1985); p. 525 - 530; Zhurnal Strukturnoi Khimii; vol. 26; nb. 4; (1985); p. 42 - 47 ; (from Gmelin), View in Reaxys

Equilibrium internuclear distance; Force constant

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Baranovskii, V. I.; Fomicheva, V. P.; Ivanova, N. V.; Sizova, O. V.; Journal of Structural Chemistry; vol. 26; (1985); p. 864 - 867; Zhurnal Strukturnoi Khimii; vol. 26; nb. 6; (1985); p. 37 - 41 ; (from Gmelin), View in Reaxys

Equilibrium internuclear distance; Electron distribution

Semi-empirical NDO calcns. (CNDO, INDO, MINDO, PCILO)

Pinchuk, V. M.; Pinchuk, A. M.; Sulimenko, A. N.; Russian Journal of Physical Chemistry; vol. 58; nb. 6; (1984); p. 936 - 937; Zhurnal Fizicheskoi Khimii; vol. 58; nb. 6; (1984); p. 1539 - 1541 ; (from Gmelin), View in Reaxys

Fine/ hyper fine coupling constants

Semi-empirical NDO calcns. (CNDO, INDO, MINDO, PCILO)

Facelli, J. C.; Barfield, M.; Journal of the American Chemical Society; vol. 106; nb. 12; (1984); p. 3407 - 3413 ; (from Gmelin), View in Reaxys

Total energy; Equilibrium internuclear distance; Vibrational constants

Electron correlation and CI calcn.

Laidig, William D.; Yamaguchi, Yukio; Schaefer, Henry F.; Journal of Chemical Physics; vol. 80; nb. 7; (1984); p. 3069 - 3072 ; (from Gmelin), View in Reaxys

Vibrational constants; Total energy; Equilibrium internuclear distance

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Laidig, William D.; Yamaguchi, Yukio; Schaefer, Henry F.; Journal of Chemical Physics; vol. 80; nb. 7; (1984); p. 3069 - 3072 ; (from Gmelin), View in Reaxys

Ionization poten- Empirical methtial, orbital enerods gy; Dipole moment, dipole moment derivative; Equilibrium internuclear distance; Dissociation energy, bonding energy

Mukhopadhyay, A. K.; Mukherjee, N. G.; Zeitschrift fuer Physikalische Chemie (Leipzig); vol. 265; nb. 2; (1984); p. 344 - 350 ; (from Gmelin), View in Reaxys

Total energy; Molecular orbitals; Population analysis, charge distribution; Dipole moment, dipole moment derivative

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Hinchliffe, Alan; Journal of Molecular Structure; vol. 108; (1984); p. 313 - 316 ; (from Gmelin), View in Reaxys

Population analysis, charge distribution; Total energy; Electronic energy levels

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Aray, Y.; Gomperts, R.; Soscun, H.; Murgich, J.; Journal of Molecular Structure; vol. 109; (1984); p. 223 - 230 ; (from Gmelin), View in Reaxys

Dipole moment, dipole moment derivative; IR

Semi-empirical NDO calcns.

Rinaldi, D.; Ruiz Lopez, M. F.; Rivail, J. L.; Journal de Chimie Physique et de Physico-Chimie Biologique; vol. 81; nb. 5; (1984); p. 295 - 302 ; (from Gmelin), View in Reaxys

281/296

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bands, intensities, (CNDO, INDO, transition moMINDO, PCILO) ments Force constant

Other semi-empirical calcns. (Hueckel, PPP)

Aray, Yosslen; Murgich, Juan; Journal of Molecular Structure; vol. 104; (1983); p. 23 - 36 ; (from Gmelin), View in Reaxys

Total energy; Ionization potential, orbital energy; Population analysis, charge distribution; Dipole moment, dipole moment derivative; Quadrupole moment

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Hinchliffe, Alan; Journal of Molecular Structure; vol. 104; (1983); p. 421 - 426 ; (from Gmelin), View in Reaxys

Shielding constant; NMR shifts, signals, intensities, transition moments

Semi-empirical NDO calcns. (CNDO, INDO, MINDO, PCILO)

Reynolds, D. J.; Webb, G. A.; Witanowski, M.; Journal of Molecular Structure; vol. 104; (1983); p. 433 - 438 ; (from Gmelin), View in Reaxys

Total energy

Other semi-empirical calcns. (Hueckel, PPP)

Maksic, Zvonimir B.; Rupnik, Kresimir; Zeitschrift fuer Naturforschung, Teil A: Physik, Physikalische Chemie, Kosmophysik; vol. 38; (1983); p. 313 - 316 ; (from Gmelin), View in Reaxys

Total energy

Semi-empirical NDO calcns. (CNDO, INDO, MINDO, PCILO)

Bochvar, D. A.; Nikerov, M. V.; Stankevich, I. V.; Journal of Structural Chemistry; vol. 24; (1983); p. 621 - 622; Zhurnal Strukturnoi Khimii; vol. 24/4; (1983); p. 127 - 128 ; (from Gmelin), View in Reaxys

Total energy; further quantum Atom distances, chemical calcns. angles; Proton affinity

Thong, Nguyen Huu; Huyen, Nguyen; Zeitschrift fuer Chemie (Stuttgart, Germany); vol. 23; (1983); p. 262 - 263 ; (from Gmelin), View in Reaxys

Total energy; Force constant; Equilibrium internuclear distance

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Pulay, Peter; Lee, Jung-Goo; Boggs, James E.; Journal of Chemical Physics; vol. 79; nb. 7; (1983); p. 3382 - 3391 ; (from Gmelin), View in Reaxys

Total energy; Force constant; Equilibrium internuclear distance

Electron correlation and CI calcn.

Pulay, Peter; Lee, Jung-Goo; Boggs, James E.; Journal of Chemical Physics; vol. 79; nb. 7; (1983); p. 3382 - 3391 ; (from Gmelin), View in Reaxys

Atom distances, angles; Force constant

Electron correlation and CI calcn.

Peric, Miljenko; Mladenovic, Mirjana; Peyerimhoff, Sigrid D.; Buenker, Robert J.; Chemical Physics; vol. 82; (1983); p. 317 336 ; (from Gmelin), View in Reaxys

Equilibrium internuclear distance; Dipole moment, dipole moment derivative; Vibrational constants; Force constant

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Karpfen, Alfred; Chemical Physics; vol. 79; (1983); p. 211 - 218 ; (from Gmelin), View in Reaxys

Force constant; Dipole moment, dipole moment derivative; Equilibrium internuclear distance; Vibrational constants; Band structure

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Karpfen, Alfred; Chemical Physics; vol. 79; (1983); p. 211 - 218 ; (from Gmelin), View in Reaxys

Population analysis, charge distribution; Potential

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-al-

Karpfen, Alfred; Chemical Physics; vol. 79; (1983); p. 211 - 218 ; (from Gmelin), View in Reaxys

282/296

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energy function, potential curve

pha, HartreeFock)

Bond moment

Semi-empirical NDO calcns. (CNDO, INDO, MINDO, PCILO)

Shinoda; Miyazaki; Bulletin of the Chemical Society of Japan; vol. 56; nb. 7; (1983); p. 1924 - 1929 ; (from Gmelin), View in Reaxys

Magnetic susceptibility; NMR shifts, signals, intensities, transition moments

further quantum chemical calcns.

Schindler, Michael; Kutzelnigg, Werner; Molecular Physics; vol. 48; (1983); p. 781 - 798 ; (from Gmelin), View in Reaxys

Fine/ hyper fine coupling constants

Electron correlation and CI calcn.

Laaksonen, Aatto; Kowalewski, Jozef; Saunders, Victor R.; Chemical Physics; vol. 80; (1983); p. 221 - 228 ; (from Gmelin), View in Reaxys

Dipole moment, dipole moment derivative; Quadrupole moment; Shielding constant; Electric field gradient

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Ha, Tae-Kyu; Nguyen, Minh Tho; Zeitschrift fuer Naturforschung, Teil A: Physik, Physikalische Chemie, Kosmophysik; vol. 37; (1982); p. 1272 - 1275 ; (from Gmelin), View in Reaxys

Atom distances, angles; Force constant; Vibrational constants

Electron correlation and CI calcn.

Farnell, Leslie; Nobes, Ross H.; Radom, Leo; Journal of Molecular Spectroscopy; vol. 93; (1982); p. 271 - 280 ; (from Gmelin), View in Reaxys

Atom distances, angles; Force constant; Potential energy function, potential curve

Electron correlation and CI calcn.

Botschwina, Peter; Chemical Physics; vol. 68; (1982); p. 41 - 64 ; (from Gmelin), View in Reaxys

Atom distances, Ab initio calcns. angles; Proton af- (LCAO, GO SCF, finity DIM, SAMO, X-alpha, HartreeFock)

Smith, Scott F.; Chandrasekhar, Jayaraman; Jorgensen, William L.; Journal of Physical Chemistry; vol. 86; nb. 17; (1982); p. 3308 3318 ; (from Gmelin), View in Reaxys

Atom distances, angles; Total energy; Molecular orbitals

Electron correlation and CI calcn.

Alagona, Giuliano; Tomasi, Jacopo; Journal of Molecular Structure; vol. 91; (1982); p. 263 - 282 ; (from Gmelin), View in Reaxys

Dipole moment, dipole moment derivative; Atom distances, angles; Population analysis, charge distribution

Semi-empirical NDO calcns. (CNDO, INDO, MINDO, PCILO)

Haese, Nathan N.; Chemical Physics Letters; vol. 88; (1982); p. 166 - 170 ; (from Gmelin), View in Reaxys

Population analysis, charge distribution; Atom distances, angles; Vibrational constants; Shielding constant

further quantum chemical calcns.

Tse, John S.; Chemical Physics Letters; vol. 92; (1982); p. 144 149 ; (from Gmelin), View in Reaxys

Dipole moment, dipole moment derivative; IR bands, intensities, transition moments; Atom distances, angles

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Rogers, Jerry D.; Hillman, John J.; Journal of Chemical Physics; vol. 77; nb. 8; (1982); p. 3615 - 3626 ; (from Gmelin), View in Reaxys

283/296

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Atom distances, angles; Force constant

Other semi-empirical calcns. (Hueckel, PPP)

Nemukhin, A. V.; Stepanov, N. F.; Journal of Structural Chemistry; vol. 22; nb. 2; (1981); p. 147 - 152; Zhurnal Strukturnoi Khimii; vol. 22; nb. 2; (1981); p. 3 - 10 ; (from Gmelin), View in Reaxys

Atom distances, angles; Total energy; Vibrational constants; Force constant; Contour map

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Dykstra, Clifford E.; Secrest, Don; Journal of Chemical Physics; vol. 75; nb. 8; (1981); p. 3967 - 3972 ; (from Gmelin), View in Reaxys

Atom distances, further quantum angles; Total enchemical calcns. ergy; Vibrational constants; Force constant; Contour map

Dykstra, Clifford E.; Secrest, Don; Journal of Chemical Physics; vol. 75; nb. 8; (1981); p. 3967 - 3972 ; (from Gmelin), View in Reaxys

Polarizability, polarizability derivatives; Dipole moment, dipole moment derivative

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Hudis, J. A.; Ditchfield, R.; Chemical Physics Letters; vol. 77; (1981); p. 202 - 207 ; (from Gmelin), View in Reaxys

Dipole moment, dipole moment derivative; Atom distances, angles; Force constant; Vibrational constants; IR bands, intensities, transition moments

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Lie, G. C.; Peyerimhoff, Sigrid D.; Buenker, Robert J.; Journal of Chemical Physics; vol. 75; nb. 6; (1981); p. 2892 - 2898 ; (from Gmelin), View in Reaxys

Dipole moment, Electron correladipole moment tion and CI calcn. derivative; Atom distances, angles; Force constant; Vibrational constants; IR bands, intensities, transition moments

Lie, G. C.; Peyerimhoff, Sigrid D.; Buenker, Robert J.; Journal of Chemical Physics; vol. 75; nb. 6; (1981); p. 2892 - 2898 ; (from Gmelin), View in Reaxys

Total energy; NQR quadrupole splitting

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Barber, M.; Hayne, S. M.; Hinchliffe, A.; Journal of Molecular Structure; vol. 62; (1980); p. 207 - 212 ; (from Gmelin), View in Reaxys

Total energy; Atom distances, angles; Dipole moment, dipole moment derivative

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Binkley, J. Stephen; Pople, John A.; Hehre, Warren J.; Journal of the American Chemical Society; vol. 102; nb. 3; (1980); p. 939 947 ; (from Gmelin), View in Reaxys

Atom distances, Electron correlaangles; Excited tion and CI calcn. states; Total energy; Dipole moment, dipole moment derivative; Transition energies

Laidig, William D.; Schaefer, Henry F. III; Journal of Chemical Physics; vol. 73; (1980); p. 1470 - 1472 ; (from Gmelin), View in Reaxys

Equilibrium internuclear distance; Total energy; Force constant; Dipole moment, dipole moment derivative

Schmiedekamp, Ann; Bock, Charles W.; George, Philip; Journal of Molecular Structure; vol. 67; (1980); p. 107 - 120 ; (from Gmelin), View in Reaxys

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

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Dipole moment, dipole moment derivative; Electronic energy levels

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Bonaccorsi, Rosanna; Ghio, Caterina; Scrocco, Eolo; Tomasi, Jacopo; Israel Journal of Chemistry; vol. 19; (1980); p. 109 - 126 ; (from Gmelin), View in Reaxys

Total energy; Cor- further quantum relation energy chemical calcns.

Frisch, Michael J.; Krishnan, Raghavachari; Pople, John A.; Chemical Physics Letters; vol. 75; (1980); p. 66 - 68 ; (from Gmelin), View in Reaxys

Atom distances, Electron correlaangles; Vibration- tion and CI calcn. al constants; Total energy

Yamaguchi, Yukio; Schaefer, Henry F.; Journal of Chemical Physics; vol. 73; nb. 5; (1980); p. 2310 - 2318 ; (from Gmelin), View in Reaxys

Atom distances, angles; Dipole moment, dipole moment derivative; Total energy; Proton affinity

Electron correlation and CI calcn.

Haese, Nathan N.; Woods, R. Claude; Journal of Chemical Physics; vol. 73; nb. 9; (1980); p. 4521 - 4527 ; (from Gmelin), View in Reaxys

Atom distances, angles; Ionization potential, orbital energy; Dipole moment, dipole moment derivative

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Topoil, Sid; Osman, Roman; Journal of Chemical Physics; vol. 73; (1980); p. 5191 - 5196 ; (from Gmelin), View in Reaxys

Proton affinity; Ionization potential, orbital energy; Dipole moment, dipole moment derivative; Population analysis, charge distribution

Semi-empirical NDO calcns. (CNDO, INDO, MINDO, PCILO)

Zverev, V. V.; Bzhanova, Z. G.; Kitaev, Yu. P.; Journal of General Chemistry USSR (English Translation); vol. 50; (1980); p. 38 - 42; Zhurnal Obshchei Khimii; vol. 50; (1980); p. 47 - 52 ; (from Gmelin), View in Reaxys

Atom distances, angles; Total energy; Atomization energy

Electron correlation and CI calcn.

Krishnan, R.; Binkley, J.S.; Seeger, R.; Pople, J.A.; Journal of Chemical Physics; vol. 72; nb. 1; (1980); p. 650 - 654 ; (from Gmelin), View in Reaxys

Total energy; Ioni- Ab initio calcns. zation potential, (LCAO, GO SCF, orbital energy DIM, SAMO, X-alpha, HartreeFock)

Redmon, Lynn T.; Purvis, George D.; Bartlett, Rodney J.; Journal of Chemical Physics; vol. 72; nb. 2; (1980); p. 986 - 991 ; (from Gmelin), View in Reaxys

Electron affinity

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Garrett; Journal of Chemical Physics; vol. 71; (1979); p. 651 ; (from Gmelin), View in Reaxys

Population analysis, charge distribution; Electron distribution

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Boldyrev, A. I.; Charkin, O. P.; Bozhenko, K. V.; Klimenko, N. M.; Rambidi, N. G.; Russian Journal of Inorganic Chemistry (Translation of Zhurnal Neorganicheskoi Khimii); vol. 24; (1979); p. 341 - 345; Zhurnal Neorganicheskoi Khimii; vol. 24; (1979); p. 612 - 621 ; (from Gmelin), View in Reaxys

Population analysis, charge distribution; Electron distribution; Molecular orbitals; Electronic energy levels

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Atom distances, Ab initio calcns. angles; Total en(LCAO, GO SCF, ergy; Electric field DIM, SAMO, X-al-

Tyrrell, James; Journal of Physical Chemistry; vol. 83; (1979); p. 2906 - 2911 ; (from Gmelin), View in Reaxys

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gradient; One pha, Hartreeelectron energies; Fock) Dipole moment, dipole moment derivative Quadrupole moment; Shielding constant

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Tyrrell, James; Journal of Physical Chemistry; vol. 83; (1979); p. 2906 - 2911 ; (from Gmelin), View in Reaxys

Equilibrium internuclear distance; Dipole moment, dipole moment derivative; Force constant

Electron correlation and CI calcn.

Liu et al.; Journal of Chemical Physics; vol. 69; (1978); p. 1425 ; (from Gmelin), View in Reaxys

Total energy; Atom distances, angles; Rotational constants; Force constant; Vibrational constants

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, HartreeFock)

Taylor, P. R.; Bacskay, G. B.; Hush, N. S.; Hurley, A. C.; Journal of Chemical Physics; vol. 69; (1978); p. 1971 - 1979 ; (from Gmelin), View in Reaxys

Total energy; Electron correlaAtom distances, tion and CI calcn. angles; Rotational constants; Force constant; Vibrational constants

Taylor, P. R.; Bacskay, G. B.; Hush, N. S.; Hurley, A. C.; Journal of Chemical Physics; vol. 69; (1978); p. 1971 - 1979 ; (from Gmelin), View in Reaxys

Contour map; Correlation energy

Electron correlation and CI calcn.

Taylor et al.; Journal of Chemical Physics; vol. 69; (1978); p. 4669 ; (from Gmelin), View in Reaxys

Shielding constant

Semi-empirical NDO calcns. (CNDO, INDO, MINDO, PCILO)

Barfield; Grant; Journal of Chemical Physics; vol. 67; (1977); p. 3322 ; (from Gmelin), View in Reaxys

Molecular orbitals

Other semi-empirical calcns. (Hueckel, PPP)

Harris Loew, G.; Theoretica Chimica Acta; vol. 20; (1971); p. 203 215, View in Reaxys; vol. C: MVol.D1; 15.4.26, page 162 - 167 ; (from Gmelin), View in Reaxys

Dipole moment, dipole moment derivative; Electronic energy levels

Empirical methods

Harris Loew, G.; Theoretica Chimica Acta; vol. 20; (1971); p. 203 215, View in Reaxys; vol. C: MVol.D1; 15.4.26, page 162 - 167 ; (from Gmelin), View in Reaxys

Ionization poten- Other semi-empirtial, orbital energy ical calcns. (Hueckel, PPP)

Harris Loew, G.; Theoretica Chimica Acta; vol. 20; (1971); p. 203 215, View in Reaxys; Rein, R.; Fukuda, N.; Win, H.; Clarke, G. A.; Harris, F. E.; Journal of Chemical Physics; vol. 45; (1966); p. 4743 4744, View in Reaxys; vol. C: MVol.D1; 15.5.16, page 175 - 178 ; (from Gmelin), View in Reaxys

Medchem (23) 1 of 23

Bioassay Category

In Vivo (Animal models)

Bioassay Name

In vivo Measurement

Bioassay Details

Effect : body temperature; decrease ofBioassay : EXAMPLE 21: CYANIDE EXPOSURE EXPERIMENTThis example shows that when mice are exposed to 80 ppm of cyanide in room air they gradually reduce their core temperature to about 34&deg;C.One goal of these metabolic flexibility studies has been the identification of compounds that can reduce oxygen consumption

Biological Species/NCBI Mus musculus ID Substance RN

1718793View in Reaxys

Substance Name

1449548

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Substance Route of Adm.

inhalational administration

Qualitative Results

title compound significantly decreased core temperature in mice

Measurement Parameter

Qualitative

Patent; DAIICHI PHARMACEUTICAL CO., LTD.; SAITAMA DAIICHI PHARMACEUTICAL CO., LTD.; WO2006/13914; (2006); (A1) Japanese, View in Reaxys 2 of 23

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Substance RN

1718793View in Reaxys

Substance Name

1449548

Qualitative Results

physiological behaviour discussed

Measurement Parameter

Qualitative

Edard, Florence; Hitchcock, Adam P.; Tronc, Michel; Journal of Physical Chemistry; vol. 94; (1990); p. 2768 2774, View in Reaxys 3 of 23

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

Enzymology inhibition

Bioassay Details

Effect : enzyme activity Bioassay : nitrile hydratase

Biological Species/NCBI Klebsiella oxytoca ID Substance RN

1718793View in Reaxys

Substance Name

1449548

Measurement Parameter

% Inhibition

Unit

Quantitative value

0.03

Ewert, Christian; Lutz-Wahl, Sabine; Fischer, Lutz; Tetrahedron Asymmetry; vol. 19; nb. 22; (2008); p. 2573 2578, View in Reaxys 4 of 23

Substance Action on Target

Radioligand (/ligand)

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Inhibitory constant of the compound against Zn-Cam (methanosarcina thermophila)

Biological Species/NCBI Methanosarcina thermophila ID Substance RN

1718793View in Reaxys

Measurement Parameter

Unit

Qualitative value

Quantitative value

0.68

Measurement pX

3.17

Innocenti, Alessio; Zimmerman, Sabrina; Ferry, James; Scozzafava, Andrea; Supuran, Claudiu; Bioorganic and Medicinal Chemistry Letters; vol. 14; nb. 17; (2004); p. 4563 - 4567, View in Reaxys 5 of 23

Target Name

Carbonic anhydrase 2 [human]

Target Synonyms

ca-ii; ca2; cac; carbonate dehydratase ii; carbonic anhydrase 2; carbonic anhydrase c; carbonic anhydrase ii

Target Uniprot ID

p00918

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Target, Subunit, Species Carbonic anhydrase 2 [human] Target Mutant/Chimera Details

Carbonic anhydrase 2 [human]:Wild

Target Species (Bioactivity)

human

Substance Action on Target

Inhibitor

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Inhibitory constant of the compound against human carbonic anhydrase II

Biological Species/NCBI human ID Substance RN

1718793View in Reaxys

Measurement Parameter

Unit

Qualitative value

Quantitative value

0.02

Measurement pX

4.7

Innocenti, Alessio; Zimmerman, Sabrina; Ferry, James; Scozzafava, Andrea; Supuran, Claudiu; Bioorganic and Medicinal Chemistry Letters; vol. 14; nb. 17; (2004); p. 4563 - 4567, View in Reaxys 6 of 23

Target Name

Carbonic anhydrase 1 [human]

Target Synonyms

ca-i; ca1; cab; carbonate dehydratase i; carbonic anhydrase 1; carbonic anhydrase b; carbonic anhydrase i

Target Uniprot ID

p00915

Target PDB ID

1azm; 1bzm; 1crm; 1czm; 1hcb; 1hug; 1huh; 1j9w; 1jv0; 2cab; 2foy; 2fw4; 2it4; 2nmx; 2nn1; 2nn7; 3lxe; 3w6h; 3w6i

Target, Subunit, Species Carbonic anhydrase 1 [human] Target Mutant/Chimera Details

Carbonic anhydrase 1 [human]:Wild

Target Species (Bioactivity)

human

Substance Action on Target

Inhibitor

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Inhibitory constant of the compound against human carbonic anhydrase I

Biological Species/NCBI human ID Substance RN

1718793View in Reaxys

Measurement Parameter

Unit

Qualitative value

Quantitative value

0.0005

Measurement pX

6.3

Innocenti, Alessio; Zimmerman, Sabrina; Ferry, James; Scozzafava, Andrea; Supuran, Claudiu; Bioorganic and Medicinal Chemistry Letters; vol. 14; nb. 17; (2004); p. 4563 - 4567, View in Reaxys 7 of 23

Target Name

Carbonic anhydrase 4 [human]

Target Synonyms

ca-iv; ca4; carbonate dehydratase iv; carbonic anhydrase 4; carbonic anhydrase iv

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Target Uniprot ID

p22748

Target PDB ID

1znc; 3f7b; 3f7u; 3fw3

Target, Subunit, Species Carbonic anhydrase 4 [human] Target Mutant/Chimera Details

Carbonic anhydrase 4 [human]:Wild

Target Species (Bioactivity)

human

Substance Action on Target

Inhibitor

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Inhibitory constant of the compound against human carbonic anhydrase IV; nt= not tested

Biological Species/NCBI human ID Substance RN

1718793View in Reaxys

Qualitative Results

nt= not tested

Measurement Parameter

Qualitative value

Innocenti, Alessio; Zimmerman, Sabrina; Ferry, James; Scozzafava, Andrea; Supuran, Claudiu; Bioorganic and Medicinal Chemistry Letters; vol. 14; nb. 17; (2004); p. 4563 - 4567, View in Reaxys 8 of 23

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Inhibitory constant of the compound against methanoarchaeon Methanobacterium thermoautotrichum (Cab)

Biological Species/NCBI Methanothermobacter thermautotrophicus ID Substance RN

1718793View in Reaxys

Measurement Parameter

Unit

Qualitative value

Quantitative value

27.8

Measurement pX

1.56

Innocenti, Alessio; Zimmerman, Sabrina; Ferry, James; Scozzafava, Andrea; Supuran, Claudiu; Bioorganic and Medicinal Chemistry Letters; vol. 14; nb. 17; (2004); p. 4563 - 4567, View in Reaxys 9 of 23

Target Name

Carbonic anhydrase 2 [human]

Target Synonyms

ca-ii; ca2; cac; carbonate dehydratase ii; carbonic anhydrase 2; carbonic anhydrase c; carbonic anhydrase ii

Target Uniprot ID

p00918

Target, Subunit, Species Carbonic anhydrase 2 [human] Target Mutant/Chimera Details

Carbonic anhydrase 2 [human]:Wild

Target Species (Bioactivity)

human

Substance Action on Target

Inhibitor

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Inhibition constant of the compound towards human carbonic anhydrase II in 10 mM Hepes, pH 7.5 was determined

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Biological Species/NCBI human ID

10 of 23

Substance RN

1718793View in Reaxys

Measurement Parameter

Unit

Qualitative value

Quantitative value

0.02

Measurement pX

4.7

Target Name

Carbonic anhydrase 6 [human]

Target Synonyms

ca-vi; ca6; carbonate dehydratase vi; carbonic anhydrase 6; carbonic anhydrase vi; salivary carbonic anhydrase; secreted carbonic anhydrase

Target Uniprot ID

p23280

Target PDB ID

3fe4

Target, Subunit, Species Carbonic anhydrase 6 [human] Target Mutant/Chimera Details

Carbonic anhydrase 6 [human]:Wild

Target Species (Bioactivity)

human

Substance Action on Target

Inhibitor

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Inhibition constant of the compound towards human carbonic anhydrase VI in 10 mM Hepes, pH 7.5 was determined

Biological Species/NCBI human ID

11 of 23

Substance RN

1718793View in Reaxys

Measurement Parameter

Unit

Qualitative value

Quantitative value

0.07

Measurement pX

4.15

Target Name

Carbonic anhydrase 1 [human]

Target Synonyms

ca-i; ca1; cab; carbonate dehydratase i; carbonic anhydrase 1; carbonic anhydrase b; carbonic anhydrase i

Target Uniprot ID

p00915

Target PDB ID

1azm; 1bzm; 1crm; 1czm; 1hcb; 1hug; 1huh; 1j9w; 1jv0; 2cab; 2foy; 2fw4; 2it4; 2nmx; 2nn1; 2nn7; 3lxe; 3w6h; 3w6i

Target, Subunit, Species Carbonic anhydrase 1 [human] Target Mutant/Chimera Details

Carbonic anhydrase 1 [human]:Wild

Target Species (Bioactivity)

human

Substance Action on Target

Inhibitor

Bioassay Category

In Vitro (Efficacy)

290/296

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Bioassay Details

Inhibition constant of the compound towards human carbonic anhydrase I in 10 mM Hepes, pH 7.5 was determined

Biological Species/NCBI human ID

12 of 23

Substance RN

1718793View in Reaxys

Measurement Parameter

Unit

Qualitative value

Quantitative value

0.0005

Measurement pX

6.3

Target Name

Carbonic anhydrase [Stylophora pistillata]

Target Synonyms

carbonic anhydrase

Target, Subunit, Species Carbonic anhydrase [Stylophora pistillata] Target Mutant/Chimera Details

Carbonic anhydrase [Stylophora pistillata]:Wild

Target Species (Bioactivity)

Stylophora pistillata

Substance Action on Target

Inhibitor

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Inhibition constant of the compound towards carbonic anhydrase from stylophora pistillata in 10 mM Hepes, pH 7.5 was determined

Biological Species/NCBI Stylophora pistillata ID

13 of 23

Substance RN

1718793View in Reaxys

Measurement Parameter

Unit

Qualitative value

Quantitative value

0.58

Measurement pX

3.24

Bioassay Category

Toxicity/Safety Pharmacology

Bioassay Details

Insecticidal activity against Myzus persicae (green peach aphid) on Bell pepper upon application of compound measured by number of live aphids after 3 days in root uptake assay

Biological Species/NCBI Myzus persicae ID Substance RN

1718793View in Reaxys

Qualitative Results

Not determined

Measurement Parameter

Activity

Measurement Object

insecticidal activity

Qualitative value

Patent; Huang, Jim X.; Zhu, Yuanming; Rogers, Richard B.; Loso, Michael R.; Hill, Robert L.; Thomas, James D.; Meade, Thomas; Gifford, James M.; DeMark, Joseph J.; Nugent, Benjamin M.; US2008/108665; (2008); (A1) English, View in Reaxys 14 of 23

Target Name

2-oxo-acid reductase

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Target Synonyms

(2r)-hydroxy-carboxylate:acceptor oxidoreductase; (2r)-hydroxycarboxylate-viologen-oxidoreductase; 2-oxo-acid reductase; 2-oxoacid reductase; hvor

Target, Subunit, Species 2-oxo-acid reductase

15 of 23

Target Mutant/Chimera Details

2-oxo-acid reductase:Wild

Substance Action on Target

Inhibitor

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Percent inhibition of 2-oxo-acid reductase with 10 mM compound was determined

Substance RN

1718793View in Reaxys

Measurement Parameter

% Inhibition

Unit

Measurement Object

Percent inhibition

Qualitative value

Quantitative value

Target Name

Aldehyde oxidase [rabbit]

Target Synonyms

aldehyde oxidase

Target, Subunit, Species Aldehyde oxidase [rabbit] Target Mutant/Chimera Details

Aldehyde oxidase [rabbit]:Wild

Target Species (Bioactivity)

rabbit

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

In vitro inhibitory concentration of compound against rabbit Aldehyde oxidase

Biological Species/NCBI rabbit ID

16 of 23

Substance RN

1718793View in Reaxys

Measurement Parameter

IC50

Unit

µM

Qualitative value

Quantitative value

Measurement pX

4.52

Target Name

aldehyde oxidase 1 [rattus norvegicus]

Target Synonyms

aldehyde oxidase 1; ao; aox1; azaheterocycle hydroxylase 1

Target Uniprot ID

q9z0u5

Target, Subunit, Species aldehyde oxidase 1 [rattus norvegicus] Target Mutant/Chimera Details

aldehyde oxidase 1 [rattus norvegicus]:Wild

Target Species (Bioactivity)

Rattus norvegicus

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

In vitro inhibitory concentration of compound against rat Aldehyde oxidase

Biological Species/NCBI Rattus norvegicus ID Substance RN

1718793View in Reaxys

292/296

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17 of 23

Measurement Parameter

IC50

Unit

µM

Qualitative value

Quantitative value

1.5

Measurement pX

5.82

Target Name

aldehyde oxidase 1 [mus musculus]

Target Synonyms

aldehyde oxidase 1; ao; aox1; azaheterocycle hydroxylase 1; retinal oxidase (aldehyde oxidase 1); ro

Target Uniprot ID

o54754

Target, Subunit, Species aldehyde oxidase 1 [mus musculus] Target Mutant/Chimera Details

aldehyde oxidase 1 [mus musculus]:Wild

Target Species (Bioactivity)

Mus musculus

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

In vitro inhibitory concentration of compound against mouse Aldehyde oxidase

Biological Species/NCBI Mus musculus ID

18 of 23

Substance RN

1718793View in Reaxys

Measurement Parameter

IC50

Unit

µM

Qualitative value

Quantitative value

190

Measurement pX

Target Name

Gluconate 2-Dehydrogenase (Acceptor) [Acetobacter melanogenum]

Target Synonyms

gluconate 2-dehydrogenase (acceptor)

Target, Subunit, Species Gluconate 2-Dehydrogenase (Acceptor) [Acetobacter melanogenum] Target Mutant/Chimera Details

Gluconate 2-Dehydrogenase (Acceptor) [Acetobacter melanogenum]:Wild

Target Species (Bioactivity)

Acetobacter melanogenum

Substance Action on Target

Inhibitor

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Percent inhibition of Acetobactor melanogenum 2-Ketogluconic dehydrogenase at 1e-3 M compound concentration

Biological Species/NCBI Acetobacter melanogenum ID

19 of 23

Substance RN

1718793View in Reaxys

Measurement Parameter

% Inhibition

Unit

Qualitative value

Quantitative value

Target Name

Alkane 1-Monooxygenase [White leghorn chicken]

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Target Synonyms

alkane 1-monooxygenase

Target, Subunit, Species Alkane 1-Monooxygenase [White leghorn chicken] Target Mutant/Chimera Details

Alkane 1-Monooxygenase [White leghorn chicken]:Wild

Target Species (Bioactivity)

White leghorn chicken

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Specific activity of 1-hydroxylase activity by the production of 1,25-(OH)2D3 in kidney mitochondria of white Leghorn chick upon incubation in 0.015 M Tris-acetate-0.19 M sucrose buffer of pH 7.4 for 15 min at 37 degree C with compound (3E-4 M); (Control=67.0)

Biological Species/NCBI White leghorn chicken ID

20 of 23

Organs/Tissues

kidney

Substance RN

1718793View in Reaxys

Qualitative Results

Specific Activity not calculated

Measurement Parameter

Qualitative

Measurement Object

Specific activity

Target Name

Polyphenol oxidase, chloroplastic [spinach]

Target Synonyms

polyphenol oxidase, chloroplastic

Target, Subunit, Species Polyphenol oxidase, chloroplastic [spinach] Target Mutant/Chimera Details

Polyphenol oxidase, chloroplastic [spinach]:Wild

Target Species (Bioactivity)

spinach

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Activity of the compound (5e-4 M) against spinach leaves Catechol oxidase in citratephosphate buffer (0.1-0.2 M), pH 7.4 upon incubation at 30 degree C for 20 min was determined by measuring rate of catechol oxidation

Biological Species/NCBI spinach ID

21 of 23

Cells/Cell Lines

Leaf cell

Substance RN

1718793View in Reaxys

Qualitative Results

Complete inhibition observed

Measurement Parameter

Activity

Measurement Object

Rate of catechol oxidation

Qualitative value

Target Name

succinate dehydrogenase [taurine cattle]

Target Synonyms

succinate dehydrogenase

Target, Subunit, Species succinate dehydrogenase [taurine cattle] Target Mutant/Chimera Details

succinate dehydrogenase [taurine cattle]:Wild

Target Species (Bioactivity)

taurine cattle

Substance Action on Target

Inhibitor

Bioassay Category

In Vitro (Efficacy)

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Bioassay Details

Inhibitory activity against beef heart Succinic dehydrogenase using 5e-3 M compound was determined

Biological Species/NCBI taurine cattle ID

22 of 23

Organs/Tissues

heart

Substance RN

1718793View in Reaxys

Qualitative Results

Unaffected

Measurement Parameter

Activity

Measurement Object

Inhibition

Qualitative value

Measurement pX

Target Name

Alkane 1-Monooxygenase [White leghorn chicken]

Target Synonyms

alkane 1-monooxygenase

Target, Subunit, Species Alkane 1-Monooxygenase [White leghorn chicken] Target Mutant/Chimera Details

Alkane 1-Monooxygenase [White leghorn chicken]:Wild

Target Species (Bioactivity)

White leghorn chicken

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Percentage inhibition of 1-hydroxylase activity in kidney mitochondria of white Leghorn chick upon incubation in 0.015 M Tris-acetate-0.19 M sucrose buffer of pH 7.4 for 15 min at 37 degree C at a compound concentration of 3E-4 M

Biological Species/NCBI White leghorn chicken ID

23 of 23

Organs/Tissues

kidney

Substance RN

1718793View in Reaxys

Measurement Parameter

% Inhibition

Unit

Measurement Object

Percentage inhibition

Qualitative value

Quantitative value

Target Name

Hypoxia-inducible factor-1 alpha (Alpha) [human]

Target Synonyms

hypoxia-inducible factor-1 alpha (alpha)

Target, Subunit, Species Hypoxia-inducible factor-1 alpha (Alpha) [human] Target Mutant/Chimera Details

Hypoxia-inducible factor-1 alpha (Alpha) [human]:Wild

Target Species (Bioactivity)

human

Substance Action on Target

Inhibitor

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Inhibition of cell respiration by the compound against hypoxia-inducible factor 1alpha in human Tet-iNOS 293 cells at a concentration of 3 oxygen

Biological Species/NCBI human ID Cells/Cell Lines

HEK 293

295/296

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Substance RN

1718793View in Reaxys

Measurement Parameter

Inhibition Score

Unit

µm

Qualitative value

Quantitative value

296/296

2018-01-18 00:45:07