Boron tribromide (Tribromoborane) [BBr3] by Asch

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1 substances in Reaxys

2018-07-08 00h:29m:01s (UTC)

Br B

1. Query

Search as: As drawn ) AND (IDE.XRN=3903058))

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Reaxys ID 3903058 View in Reaxys

1/1 CAS Registry Number: 10294-33-4 Chemical Name: boron tribromide Linear Structure Formula: BBr3 Molecular Formula: BBr3 Molecular Weight: 250.523 Type of Substance: Isotope or isotope containing compound InChI Key: ILAHWRKJUDSMFH-UHFFFAOYSA-N Note:

Br B

Substance Label (2) Label References 9

Fauber, Benjamin P.; Gobbi, Alberto; Robarge, Kirk; Zhou, Aihe; Barnard, Adrian; Cao, Jianhua; Deng, Yuzhong; Eidenschenk, Céline; Everett, Christine; Ganguli, Arunima; Hawkins, Julie; Johnson, Adam R.; La, Hank; Norman, Maxine; Salmon, Gary; Summerhill, Susan; Ouyang, Wenjun; Tang, Wei; Wong, Harvey; Bioorganic and Medicinal Chemistry Letters; vol. 25; nb. 15; (2015); p. 2907 - 2912, View in Reaxys

BBr3, boron tribromide

Patent; INTERMUNE, INC.; WO2008/100867; (2008); (A2) English, View in Reaxys

Patent-Specific Data (10) Location in Patent References Patent; University of Jinan; Zheng Gengxiu; Gao Lingfeng; Han Xinyu; Fu Kai; Wang Qiufen; Feng Xue; (6 pag.); CN106928137; (2017); (A) Chinese, View in Reaxys Patent; University of Jinan; Gao Lingfeng; Zheng Gengxiu; Han Xinyu; Fu Kai; Wang Qiufen; (7 pag.); CN106928136; (2017); (A) Chinese, View in Reaxys Page/Page column

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LogP

2.961

H Bond Donors

H Bond Acceptors

Rotatable Bonds

TPSA

Lipinski Number

Veber Number

Catalyst Investigation (2) 1 of 2

Investigated characteristic(s)

Catalytic activity

Type of reaction (Catalyst Investigation)

Intramolecular cyclocondensation

Zhu, Wenju; Zhao, Liang; Wang, Mei-Xiang; Journal of Organic Chemistry; vol. 80; nb. 24; (2015); p. 12047 - 12057, View in Reaxys 2 of 2

Investigated characteristic(s)

Catalytic activity

Type of reaction (Catalyst Investigation)

Condensation

Gutierrez, Rsuini U.; Correa, Hans C.; Bautista, Rafael; Vargas, Jose Luis; Jerezano, Alberto V.; Delgado, Francisco; Tamariz, Joaquin; Journal of Organic Chemistry; vol. 78; nb. 19; (2013); p. 9614 - 9626, View in Reaxys Purification (1) Purification (method)

References

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purification described

Cocksedge; Journal of the Chemical Society; vol. 93; (1908); p. 2177, View in Reaxys; Cocksedge; Proceedings of the Chemical Society, London; vol. 24; (1908); p. 270, View in Reaxys; vol. B: MVol.; 10.1.1, page 124 - 124 ; (from Gmelin), View in Reaxys

Melting Point (2) 1 of 2

Melting Point [°C]

129 - 131

Balsera, Beatriz; Mulet, José; Sala, Salvador; Sala, Francisco; de la Torre-Martínez, Roberto; González-Rodríguez, Sara; Plata, Adrián; Naesens, Lieve; Fernández-Carvajal, Asia; Ferrer-Montiel, Antonio; Criado, Manuel; Pérez de Vega, María Jesús; González-Muñiz, Rosario; European Journal of Medicinal Chemistry; vol. 143; (2018); p. 157 - 165, View in Reaxys 2 of 2

Melting Point [°C]

-46

Stock; Kuss; Ber.; vol. 47; (1914); p. 3114, View in Reaxys; Stock; Kuss; Ber.; vol. 56; (1923); p. 1466, View in Reaxys; vol. B: MVol.; 10.1.2, page 125 - 125, View in Reaxys; Kafarov, V. V.; Dorokhov, I. N.; Vetokhin, V. N.; Volkov, L. P.; Doklady Physical Chemistry (Translation of the physical chemistry section of Doklady Akademii Nauk); vol. 313; (1990); p. 652 - 656; Doklady Akademii Nauk SSSR; vol. 313; (1990); p. 1156 - 1160 ; (from Gmelin), View in Reaxys Boiling Point (9) Boiling Point [°C]

Pressure (Boiling Point) [Torr]

References

Chen, Luyang; Gu, Yunle; Shi, Liang; Ma, Jianhua; Yang, Zeheng; Qian, Yitai; Bulletin of the Chemical Society of Japan; vol. 77; nb. 7; (2004); p. 1423 - 1424 ; (from Gmelin), View in Reaxys

91.04

Sladkov; Russian Journal of Applied Chemistry; vol. 73; nb. 9; (2000); p. 1511 - 1516 ; (from Gmelin), View in Reaxys

Nomoto, Miho; Okabayashi, Toshiaki; Klaus, Thomas; Tanimoto, Mitsutoshi; Journal of Molecular Structure; vol. 413-414; (1997); p. 471 - 476 ; (from Gmelin), View in Reaxys

90.9

Kafarov, V. V.; Dorokhov, I. N.; Vetokhin, V. N.; Volkov, L. P.; Doklady Physical Chemistry (Translation of the physical chemistry section of Doklady Akademii Nauk); vol. 313; (1990); p. 652 - 656; Doklady Akademii Nauk SSSR; vol. 313; (1990); p. 1156 - 1160 ; (from Gmelin), View in Reaxys

91.05 - 91.55

759

Cueilleron, J.; Annales de Chimie (Cachan, France); vol. 19; (1944); p. 459 - 486, View in Reaxys; vol. B: SVol.1; 4.6, page 204 - 209 ; (from Gmelin), View in Reaxys

90.1

740

Stock; Kuss; Ber.; vol. 47; (1914); p. 3114, View in Reaxys; vol. B: MVol.; 10.1.2, page 125 125 ; (from Gmelin), View in Reaxys

90.6

760

Bartal, von; Liebigs Annalen der Chemie; vol. 345; (1906); p. 340, View in Reaxys; vol. B: MVol.; 10.1.2, page 125 - 125 ; (from Gmelin), View in Reaxys

760

Gustavson; Ann. Chim. Phys.; vol. 2; nb. 5; (1874); p. 206, View in Reaxys; Michaelis; Richter, E.; Liebigs Annalen der Chemie; vol. 315; (1901); p. 29, View in Reaxys; vol. B: MVol.; 10.1.2, page 125 - 125 ; (from Gmelin), View in Reaxys

90.5

760

Gautier, H.; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 129; (1899); p. 679, View in Reaxys; Woehler; Sainte-Claire Deville; Ann. Chim. Phys.; vol. 52; nb. 3; (1858); p. 89, View in Reaxys; vol. B: MVol.; 10.1.2, page 125 - 125 ; (from Gmelin), View in Reaxys

Refractive Index (17) Refractive Index Wavelength (ReTemperature (Refractive Index) [nm] fractive Index) [°C] 1.521

Comment (Refractive Index)

References

16.3

at infinite wave length; Liquid

Pohland, E.; Z. Anorg. Chem.; vol. 201; (1931); p. 282 - 288, View in Reaxys; vol. B: SVol.1; 4.6, page 204 - 209 ; (from Gmelin), View in Reaxys

1.5264

656.3

16.3

Liquid

Pohland, E.; Z. Anorg. Chem.; vol. 201; (1931); p. 282 - 288, View in Reaxys; vol. B: SVol.1; 4.6, page 204 - 209 ; (from Gmelin), View in Reaxys

1.5312

589.3

16.3

Liquid

Pohland, E.; Z. Anorg. Chem.; vol. 201; (1931); p. 282 - 288, View in Reaxys; vol. B: SVol.1; 4.6, page 204 - 209 ; (from Gmelin), View in Reaxys

1.5351

546

16.3

Liquid

Pohland, E.; Z. Anorg. Chem.; vol. 201; (1931); p. 282 - 288, View in Reaxys; vol. B: SVol.1; 4.6, page 204 - 209 ; (from Gmelin), View in Reaxys

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1.5429

486.1

1.00198

16.3

Liquid

Pohland, E.; Z. Anorg. Chem.; vol. 201; (1931); p. 282 - 288, View in Reaxys; vol. B: SVol.1; 4.6, page 204 - 209 ; (from Gmelin), View in Reaxys

643.8

Gaseous

vol. B: SVol.1; 4.6, page 204 - 209, View in Reaxys; Lowery, H.; Proceedings of the Royal Society of London, Series A: Mathematical, Physical and Engineering Sciences; vol. 133; (1931); p. 188 - 207 ; (from Gmelin), View in Reaxys

1.00198

670.8

Gaseous

1.00199

610.4

Gaseous

1.002

577

Gaseous

1.00201

546.1

Gaseous

1.00203

508.6

Gaseous

1.00204

480

Gaseous

1.00205

460.2

Gaseous

1.00207

435.8

Gaseous

1.53648

656.3

6.3

Liquid

Ghira; Atti della Accademia Nazionale dei Lincei, Classe di Scienze Fisiche, Matematiche e Naturali, Rendiconti; vol. 2 I; nb. 5; (1893); p. 312, View in Reaxys; Ghira; Gazzetta Chimica Italiana; vol. 23 II; (1893); p. 8, View in Reaxys; Ghira; Z. phys. Ch.; vol. 12; (1894); p. 768, View in Reaxys; vol. B: MVol.; 10.1.2, page 125 - 125 ; (from Gmelin), View in Reaxys

1.55329

486.1

6.3

Liquid

Copyright ÂŠ 2018 Elsevier Life Sciences IP Limited except certain content provided by third parties. Reaxys is a trademark of Elsevier Life Sciences IP Limited.

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vol. B: MVol.; 10.1.2, page 125 - 125 ; (from Gmelin), View in Reaxys 1.56291

434

6.3

Liquid

Density (18) 1 of 18

Comment (Density)

density equation; Liquid

Sladkov; Russian Journal of Applied Chemistry; vol. 73; nb. 9; (2000); p. 1511 - 1516 ; (from Gmelin), View in Reaxys 2 of 18

Density [g·cm-3]

0.9

Measurement Temperature 300 [°C] Comment (Density)

at critical temp.; Liquid

vol. B: SVol.1; 4.6, page 204 - 209, View in Reaxys; Hojendahl, K.; K. Dan. Vidensk. Selsk. Skr., Naturwidensk. Math. Afd.; vol. 24; nb. 2; (1946); p. 1 - 12 ; (from Gmelin), View in Reaxys 3 of 18

Density [g·cm-3]

0.31

Measurement Temperature 265 [°C] Comment (Density)

Gaseous

vol. B: SVol.1; 4.6, page 204 - 209, View in Reaxys; Hojendahl, K.; K. Dan. Vidensk. Selsk. Skr., Naturwidensk. Math. Afd.; vol. 24; nb. 2; (1946); p. 1 - 12 ; (from Gmelin), View in Reaxys 4 of 18

Density [g·cm-3]

0.42

Measurement Temperature 280 [°C] Comment (Density)

Gaseous

vol. B: SVol.1; 4.6, page 204 - 209, View in Reaxys; Hojendahl, K.; K. Dan. Vidensk. Selsk. Skr., Naturwidensk. Math. Afd.; vol. 24; nb. 2; (1946); p. 1 - 12 ; (from Gmelin), View in Reaxys 5 of 18

Density [g·cm-3]

0.53

Measurement Temperature 290 [°C] Comment (Density)

Gaseous

vol. B: SVol.1; 4.6, page 204 - 209, View in Reaxys; Hojendahl, K.; K. Dan. Vidensk. Selsk. Skr., Naturwidensk. Math. Afd.; vol. 24; nb. 2; (1946); p. 1 - 12 ; (from Gmelin), View in Reaxys 6 of 18

Density [g·cm-3]

2.608

Measurement Temperature 30 [°C] Comment (Density)

Solid; ref. temp. 4 Deg C

Pohland, E.; Z. Anorg. Chem.; vol. 201; (1931); p. 282 - 288, View in Reaxys; vol. B: SVol.1; 4.6, page 204 - 209 ; (from Gmelin), View in Reaxys 7 of 18

Density [g·cm-3]

3.3

Comment (Density)

Solid

Pohland, E.; Z. Anorg. Chem.; vol. 201; (1931); p. 282 - 288, View in Reaxys; vol. B: SVol.1; 4.6, page 204 - 209 ; (from Gmelin), View in Reaxys 8 of 18

Density [g·cm-3]

1.43

Measurement Temperature 290 [°C] Comment (Density)

Liquid

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Pohland, E.; Z. Anorg. Chem.; vol. 201; (1931); p. 282 - 288, View in Reaxys; vol. B: SVol.1; 4.6, page 204 - 209 ; (from Gmelin), View in Reaxys 9 of 18

Density [g·cm-3]

1.55

Measurement Temperature 280 [°C] Comment (Density)

Liquid

Pohland, E.; Z. Anorg. Chem.; vol. 201; (1931); p. 282 - 288, View in Reaxys; vol. B: SVol.1; 4.6, page 204 - 209 ; (from Gmelin), View in Reaxys 10 of 18

Density [g·cm-3]

1.65

Measurement Temperature 265 [°C] Comment (Density)

Liquid

Pohland, E.; Z. Anorg. Chem.; vol. 201; (1931); p. 282 - 288, View in Reaxys; vol. B: SVol.1; 4.6, page 204 - 209 ; (from Gmelin), View in Reaxys 11 of 18

Density [g·cm-3]

2.456

Measurement Temperature 90.5 [°C] Comment (Density)

at the bolinig point; Liquid; ref. temp. 4 Deg C

Pohland, E.; Z. Anorg. Chem.; vol. 201; (1931); p. 282 - 288, View in Reaxys; vol. B: SVol.1; 4.6, page 204 - 209 ; (from Gmelin), View in Reaxys 12 of 18

Density [g·cm-3]

2.6431

Measurement Temperature 18.4 [°C] Comment (Density)

Liquid; ref. temp. 4 Deg C

Pohland, E.; Z. Anorg. Chem.; vol. 201; (1931); p. 282 - 288, View in Reaxys; vol. B: SVol.1; 4.6, page 204 - 209 ; (from Gmelin), View in Reaxys 13 of 18

Density [g·cm-3]

2.691

Comment (Density)

Liquid

Pohland, E.; Z. Anorg. Chem.; vol. 201; (1931); p. 282 - 288, View in Reaxys; vol. B: SVol.1; 4.6, page 204 - 209 ; (from Gmelin), View in Reaxys 14 of 18

Density [g·cm-3]

2.811

Measurement Temperature -46 [°C] Comment (Density)

at the melting point; Liquid; ref. temp. 4 Deg C

Pohland, E.; Z. Anorg. Chem.; vol. 201; (1931); p. 282 - 288, View in Reaxys; vol. B: SVol.1; 4.6, page 204 - 209 ; (from Gmelin), View in Reaxys 15 of 18

Density [g·cm-3]

2.69

Measurement Temperature 15 [°C] Comment (Density)

Liquid

Michaelis; Richter, E.; Liebigs Annalen der Chemie; vol. 315; (1901); p. 29, View in Reaxys; vol. B: MVol.; 10.1.2, page 125 125 ; (from Gmelin), View in Reaxys 16 of 18

Density [g·cm-3]

2.63845

Measurement Temperature 6.3 [°C] Comment (Density)

Liquid; ref. temp. 4 Deg C

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17 of 18

Density [g·cm-3]

2.6498

Measurement Temperature 0 [°C] Comment (Density)

Liquid; ref. temp. 4 Deg C

Density [g·cm-3]

2.69

Comment (Density)

Liquid

Woehler; Sainte-Claire Deville; Ann. Chim. Phys.; vol. 52; nb. 3; (1858); p. 89, View in Reaxys; vol. B: MVol.; 10.1.2, page 125 - 125 ; (from Gmelin), View in Reaxys Adsorption (MCS) (6) 1 of 6

Description (Adsorption (MCS))

Adsorption

Partner (Adsorption (MCS))

silica

Tertykh, V. A.; Varvarin, A. M.; Simurov, A. V.; Belyakova, L. A.; Theoretical and Experimental Chemistry; vol. 25; (1989); p. 349 - 352; Teoreticheskaya i Eksperimental'naya Khimiya; vol. 25; (1989); p. 374 - 377 ; (from Gmelin), View in Reaxys 2 of 6

Description (Adsorption (MCS))

Adsorption

Comment (Adsorption (MCS))

sorption diagram; sorption equation

Partner (Adsorption (MCS))

carbon

Gavrilin, A. V.; Luk'yanov, I. M.; Smirnov, E. P.; Aleskovskii, V. B.; Journal of General Chemistry USSR (English Translation); vol. 57; (1987); p. 1207 - 1209; Zhurnal Obshchei Khimii; vol. 57; (1987); p. 1350 - 1352 ; (from Gmelin), View in Reaxys 3 of 6

Description (Adsorption (MCS))

Adsorption

Comment (Adsorption (MCS))

sorption diagram; sorption equation

Partner (Adsorption (MCS))

diamond

Description (Adsorption (MCS))

Adsorption

Comment (Adsorption (MCS))

sorption diagram

Partner (Adsorption (MCS))

graphite

Savel'ev, B. A.; Malkerov, A. N.; Krenev, V. A.; Russian Journal of Inorganic Chemistry (Translation of Zhurnal Neorganicheskoi Khimii); vol. 22; (1977); p. 1091 - 1092; Zhurnal Neorganicheskoi Khimii; vol. 22; (1977); p. 2010 - 2011 ; (from Gmelin), View in Reaxys 5 of 6

Description (Adsorption (MCS))

Adsorption to title compound

Partner (Adsorption (MCS))

B2H6

Schlesinger, H. I.; Burg, A. B.; Journal of the American Chemical Society; vol. 53; (1931); p. 4321 - 4332, View in Reaxys; vol. B: SVol.1; 4.6, page 204 - 209 ; (from Gmelin), View in Reaxys 6 of 6

Description (Adsorption (MCS))

Adsorption to title compound

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Partner (Adsorption (MCS))

PH3

Besson; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 113; (1891); p. 78, View in Reaxys; vol. B: MVol.; 10.1.3, page 125 - 126 ; (from Gmelin), View in Reaxys Conformation (1) Object of Investiga- References tion Conformation

Santiso-Quinones, Gustavo; Krossing, Ingo; Zeitschrift fur Anorganische und Allgemeine Chemie; vol. 634; nb. 4; (2008); p. 704 - 707 ; (from Gmelin), View in Reaxys

Critical Density (1) Critical Density References [g·cm-3] 0.9

Hojendahl, K.; K. Dan. Vidensk. Selsk. Skr., Naturwidensk. Math. Afd.; vol. 24; nb. 2; (1946); p. 1 - 12, View in Reaxys; Hojendahl, K.; Nordiske Kemikermode Forh.; vol. 5; (1939); p. 209 - 211, View in Reaxys; vol. B: SVol.1; 4.6, page 204 - 209, View in Reaxys; Hojendahl, K.; K. Dan. Vidensk. Selsk. Skr., Naturwidensk. Math. Afd.; vol. 24; nb. 2; (1946); p. 1 - 12 ; (from Gmelin), View in Reaxys

Critical Temperature (2) Critical TemperaReferences ture [°C] 307.84

Sladkov; Russian Journal of Applied Chemistry; vol. 73; nb. 9; (2000); p. 1511 - 1516 ; (from Gmelin), View in Reaxys

300

Critical Volume (1) Critical Volume [l/ References mol] 0.28

Sladkov; Russian Journal of Applied Chemistry; vol. 73; nb. 9; (2000); p. 1511 - 1516 ; (from Gmelin), View in Reaxys

Crystal Phase (3) Description (Crystal Phase)

References

Crystal growth

Santiso-Quinones, Gustavo; Krossing, Ingo; Zeitschrift fur Anorganische und Allgemeine Chemie; vol. 634; nb. 4; (2008); p. 704 - 707 ; (from Gmelin), View in Reaxys

Structure of the sol- Santiso-Quinones, Gustavo; Krossing, Ingo; Zeitschrift fur Anorganische und Allgemeine Chemie; vol. 634; nb. 4; id (2008); p. 704 - 707 ; (from Gmelin), View in Reaxys Single Crystal Xray Diffraction

Santiso-Quinones, Gustavo; Krossing, Ingo; Zeitschrift fur Anorganische und Allgemeine Chemie; vol. 634; nb. 4; (2008); p. 704 - 707 ; (from Gmelin), View in Reaxys

Crystal Property Description (3) Colour & Other Point group Properties

Comment (Crystal Property Description)

D3h

References

Aubauer; Irran; Klapoetke; Schnick; Schulz; Senker; Inorganic Chemistry; vol. 40; nb. 19; (2001); p. 4956 - 4965 ; (from Gmelin), View in Reaxys

pale yellow

Nomoto, Miho; Okabayashi, Toshiaki; Klaus, Thomas; Tanimoto, Mitsutoshi; Journal of Molecular Structure; vol. 413-414; (1997); p. 471 - 476 ; (from Gmelin), View in Reaxys

colourless

BrCH2CO2H

Puri,J. K.; Kaur, Jaswinder; Sharma, Vijay; Miller, Jack M.; Polyhedron; vol. 2; (1983); p. 1287 - 1296 ; (from Gmelin), View in Reaxys

Crystal System (2) Crystal System References Hexagonal

Pohland, E.; Z. Anorg. Chem.; vol. 201; (1931); p. 282 - 288, View in Reaxys; vol. B: SVol.1; 4.6, page 204 - 209, View in Reaxys; Santiso-Quinones, Gustavo; Krossing, Ingo; Zeitschrift fur Anorganische und Allgemeine Chemie; vol. 634; nb. 4; (2008); p. 704 - 707 ; (from Gmelin), View in Reaxys

Trigonal

Pohland, E.; Z. Anorg. Chem.; vol. 201; (1931); p. 282 - 288, View in Reaxys; vol. B: SVol.1; 4.6, page 204 - 209 ; (from Gmelin), View in Reaxys

Dielectric Constant (1)

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Dielectric Constant

Comment (Dielectric Constant)

References

4.31

at infinite wavelength

Sharma, S. B.; Paliwal, P.; Kumar, M.; Journal of Physics and Chemistry of Solids; vol. 51; (1990); p. 35 - 40 ; (from Gmelin), View in Reaxys

Dissociation Energy (1) Comment (Dissoci- References ation Energy) information on dissociation energy

Finch, A.; Gardner, P. J.; Progr. Boron Chem.; vol. 3; (1970); p. 177 - 210, View in Reaxys; vol. B: B-Verb.9; 4.1.1, page 94 - 98 ; (from Gmelin), View in Reaxys

Electrical Data (1) 1 of 1

Description (Electrical Da- Electronic band structure ta) Sharma, S. B.; Paliwal, P.; Kumar, M.; Journal of Physics and Chemistry of Solids; vol. 51; (1990); p. 35 - 40 ; (from Gmelin), View in Reaxys

Electrical Moment (2) 1 of 2

Description (Electrical Moment)

Dipole moment

Moment (Electrical Moment) [D]

Method (Electrical Moment)

Dielectric constant, permittivity

Fairbrother, F.; Journal of the Chemical Society; (1945); p. 503 - 509, View in Reaxys; Rollier, M. A.; Gazzetta Chimica Italiana; vol. 77; (1947); p. 372 - 374, View in Reaxys; vol. B: SVol.1; 4.6, page 204 - 209, View in Reaxys; Hojendahl, K.; K. Dan. Vidensk. Selsk. Skr., Naturwidensk. Math. Afd.; vol. 24; nb. 2; (1946); p. 1 - 12 ; (from Gmelin), View in Reaxys 2 of 2

Moment (Electrical Moment) [D]

Method (Electrical Moment)

Dielectric constant, permittivity

Hojendahl, K.; K. Dan. Vidensk. Selsk. Skr., Naturwidensk. Math. Afd.; vol. 24; nb. 2; (1946); p. 1 - 12 ; (from Gmelin), View in Reaxys Electrochemical Behaviour (1) Description (Elec- References trochemical Behaviour) acid / base behaviour

Shiraishi, Shinsaku; Shigemoto, Tadashi; Miyahara, Masatoshi; Ogawa, Shojiro; Bulletin of the Chemical Society of Japan; vol. 54; nb. 12; (1981); p. 3863 - 3864, View in Reaxys; Shi, Min; Wang, Chun-Jiang; Helvetica Chimica Acta; vol. 85; nb. 3; (2002); p. 841 - 846, View in Reaxys; Larrosa, Igor; Da Silva, Marianne I.; Gomez, Patricio M.; Hannen, Peter; Ko, Eunjung; Lenger, Steven R.; Linke, Simon R.; White, Andrew J. P.; Wilton, Donna; Barrett, Anthony G. M.; Journal of the American Chemical Society; vol. 128; nb. 43; (2006); p. 14042 - 14043, View in Reaxys; Becker, Michael H.; Chua, Peter; Downham, Robert; Douglas, Christopher J.; Garg, Neil K.; Hiebert, Sheldon; Jaroch, Stefan; Matsuoka, Richard T.; Middleton, Joy A.; Ng, Fay W.; Overman, Larry E.; Journal of the American Chemical Society; vol. 129; nb. 39; (2007); p. 11987 - 12002, View in Reaxys; Ishikawa, Toshihiro; Yamamura, Takemi; Okamura, Kiyohito; Nippon Kagaku Kaishi (Journal of the Chemical Society of Japan); (1990); p. 1277 1283, View in Reaxys; Chehayber, Jaafar M.; Drake, John E.; Inorganica Chimica Acta; vol. 112; (1986); p. 209 214 ; (from Gmelin), View in Reaxys

Enthalpy of Formation (6) Enthalpy of Forma- Temperature (Ention [Jmol-1] thalpy of Formation) [Â°C]

Comment (Enthalpy of Formation)

References

-39000

Drakin, S. I.; Aarinola, P. K.; Russian Journal of Physical Chemistry; vol. 69; nb. 6; (1995); p. 877 - 880; Zhurnal Fizicheskoi Khimii; vol. 69; nb. 6; (1995); p. 970 - 973 ; (from Gmelin), View in Reaxys

202000

-205230

Copyright ÂŠ 2018 Elsevier Life Sciences IP Limited except certain content provided by third parties. Reaxys is a trademark of Elsevier Life Sciences IP Limited.

Li, Lin-Feng; You, Xiao-Zeng; Thermochimica Acta; vol. 225; (1993); p. 85 - 96 ; (from Gmelin), View in Reaxys

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-205000

-186700

25.01

Gaseous

vol. B: SVol.1; 4.6, page 204 - 209, View in Reaxys; Rossini, F. D.; at. al.; Natl. Bur. Stand. Circ. (U. S.); nb. 500; (1952); p. 316 - 316; Selected values of chemical thermodynamic properties, Circular Bur. Stand. Nr. 500 {1952} 1/1268, 316. ; (from Gmelin), View in Reaxys

-220600

Liquid

Enthalpy of Vaporization (3) Enthalpy of Vapori- Temperature (Enzation [Jmol-1] thalpy of Vaporization) [Â°C]

References

31391.3

90.84

Benson, Sidney W.; Journal of Physical Chemistry A; vol. 103; nb. 51; (1999); p. 11481 - 11485 ; (from Gmelin), View in Reaxys

34321.1

90.84

Benson, Sidney W.; Journal of Physical Chemistry A; vol. 103; nb. 51; (1999); p. 11481 - 11485 ; (from Gmelin), View in Reaxys

33480

Pohland, E.; Z. Anorg. Chem.; vol. 201; (1931); p. 282 - 288, View in Reaxys; vol. B: SVol.1; 4.6, page 204 - 209 ; (from Gmelin), View in Reaxys

Further Information (72) Description (FurComment (Further ther Information) Information)

References

Behaviour as catalyst

Schindler, Corinna S.; Diethelm, Stefan; Carreira, Erick M.; Angewandte Chemie, International Edition; vol. 48; nb. 34; (2009); p. 6296 - 6299; Angewandte Chemie; vol. 121; nb. 34; (2009); p. 6414 - 6417 ; (from Gmelin), View in Reaxys

Behaviour as catalyst

Yao, Min-Liang; Borella, Scott; Quick, Travis; Kabalka, George Walter; Dalton Transactions; nb. 6; (2008); p. 776 - 778 ; (from Gmelin), View in Reaxys

Behaviour as catalyst

Mamedov; Mamedova; Gadzhieva; Nagiev; Russian Journal of Applied Chemistry; vol. 80; nb. 8; (2007); p. 1376 - 1378 ; (from Gmelin), View in Reaxys

Behaviour as catalyst

Charette; Molinaro; Brochu; Journal of the American Chemical Society; vol. 123; nb. 49; (2001); p. 12160 - 12167 ; (from Gmelin), View in Reaxys

Behaviour as catalyst

Ziegler, Georg; Haug, Erwin; Frey, Wolfgang; Kantlehner, Willi; Zeitschrift fur Naturforschung - Section B Journal of Chemical Sciences; vol. 56; nb. 11; (2001); p. 1178 - 1187 ; (from Gmelin), View in Reaxys

Behaviour as catalyst

Charette, Andre B.; Brochu, Christian; Journal of the American Chemical Society; vol. 117; nb. 45; (1995); p. 11367 - 11368 ; (from Gmelin), View in Reaxys

Behaviour as catalyst

Brown, Herbert C.; Bhat, N. G.; Basavaiah, D.; Israel Journal of Chemistry; vol. 24; (1984); p. 72 - 75 ; (from Gmelin), View in Reaxys

Behaviour as catalyst

Brown, Herbert C.; Chandrasekharan, J.; Organometallics; vol. 2; (1983); p. 1261 - 1263 ; (from Gmelin), View in Reaxys

Behaviour as catalyst

Brown; Chandrasekharan; Wang; Pure and Applied Chemistry; vol. 55; nb. 9; (1983); p. 1387 1414 ; (from Gmelin), View in Reaxys

Reaction with substance classes

title compound react with triorganyl phosphinsulfides

Reaction with substance classes

title compound re- Noeth, H.; Storch, W.; Syn. Inorg. Metal-Org. Chem.; vol. 1; (1971); p. 197 - 205 ; (from Gmeact with trialkylalin), View in Reaxys lane to (alkyl)dibromoborane

Reaction with substance classes

title compound react with triorganyl phosphinsulfides

Boorman, P. M.; Potts, D.; Canadian Journal of Chemistry; vol. 52; (1974); p. 2016 - 2020 ; (from Gmelin), View in Reaxys

Schmidt, M.; Block, H. D.; Chemische Berichte; vol. 103; (1970); p. 3705 - 3710 ; (from Gmelin), View in Reaxys

Copyright ÂŠ 2018 Elsevier Life Sciences IP Limited except certain content provided by third parties. Reaxys is a trademark of Elsevier Life Sciences IP Limited.

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Reaction with substance classes

title compound react with aromatic hydrocarbon to (aryl)dibromoborane

Bowie,R.A.; Musgrave,O.C.; Journal of the Chemical Society [Section] C: Organic; (1970); p. 485 - 488 ; (from Gmelin), View in Reaxys

Reaction with substance classes

title compound react with hydrocarbon to (organyl)dibromoborane

Ogata et al.; Tetrahedron; vol. 25; (1969); p. 1817 ; (from Gmelin), View in Reaxys

Reaction with substance classes

title compound react with tetraorganyl stannane to (diorganyl)halogenborane

Noeth,H.; Vahrenkamp,H.; Journal of Organometallic Chemistry; vol. 11; (1968); p. 399 - 405 ; (from Gmelin), View in Reaxys

Reaction with substance classes

title compound react with tetraorganyl stannane to (organyl)dihalogenborane

Noeth,H.; Vahrenkamp,H.; Journal of Organometallic Chemistry; vol. 11; (1968); p. 399 - 405 ; (from Gmelin), View in Reaxys

Reaction with substance classes

title compound react with tetraorganylstannane to (organyl)dibromoborane

Noeth,H.; Vahrenkamp,H.; Journal of Organometallic Chemistry; vol. 11; (1968); p. 399 - 405 ; (from Gmelin), View in Reaxys

Reaction with substance classes

title compound react with triorganylborane to (organyl)dibromoborane

Koester, R.; Grassberger, M. A.; Liebigs Annalen der Chemie; vol. 719; (1968); p. 169 - 186 ; (from Gmelin), View in Reaxys

Reaction with substance classes

title compound react with triorganylborane to (diorganyl)bromoborane

Koester, R.; Grassberger, M. A.; Liebigs Annalen der Chemie; vol. 719; (1968); p. 169 - 186 ; (from Gmelin), View in Reaxys

Reaction with substance classes

title compound re- Noeth,H.; Vahrenkamp,H.; Journal of Organometallic Chemistry; vol. 11; (1968); p. 399 - 405 ; act with tetraorga(from Gmelin), View in Reaxys nylstannane to (diorganyl)bromoborane

Reaction with substance classes

Patent; Witz, S.; Shepard, J. L.; Hormats, E. I.; US3329485; (1967); C.A.; vol. 67; (1967); p. 108741 ; (from Gmelin), View in Reaxys

Reaction with substance classes

title compound react with tris(alkyl)boroxine to (alkyl)dibromoborane

Paetzold,P.I. et al.; Journal of Organometallic Chemistry; vol. 7; (1967); p. 45 - 50 ; (from Gmelin), View in Reaxys

Reaction with substance classes

title compound react with hydrocarbon to (organyl)dibromoborane

Patent; Witz, S.; Shepard, J. L.; Hormats, E. I.; US3329485; (1967); C.A.; vol. 67; (1967); p. 108741 ; (from Gmelin), View in Reaxys

Reaction with substance classes

title compound react with triorganylborane to (organyl)dibromoborane

McCusker, P. A.; Bright, H. H.; Journal of Inorganic and Nuclear Chemistry; vol. 28; (1966); p. 2261 - 2266 ; (from Gmelin), View in Reaxys

Reaction with substance classes

title compound react with triorganylborane to (diorganyl)bromoborane

McCusker, P. A.; Bright, H. H.; Journal of Inorganic and Nuclear Chemistry; vol. 28; (1966); p. 2261 - 2266 ; (from Gmelin), View in Reaxys

Reaction with substance classes

title compound re- Paetzold, P. I.; Hansen, H.-J.; Zeitschrift fuer Anorganische und Allgemeine Chemie; vol. 345; act with tetraorga(1966); p. 79 - 86 ; (from Gmelin), View in Reaxys nylstannane to (diorganyl)bromoborane

Reaction with substance classes

title compound react with hydrocar-

Bowie,R.A.; Musgrave,O.C.; Journal of the Chemical Society [Section] C: Organic; (1966); p. 566 - 571 ; (from Gmelin), View in Reaxys

Copyright ÂŠ 2018 Elsevier Life Sciences IP Limited except certain content provided by third parties. Reaxys is a trademark of Elsevier Life Sciences IP Limited.

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2018-07-08 00:29:24

bon to (organyl)dibromoborane Reaction with substance classes

title compound react with tetraorganyl stannane to (diorganyl)halogenborane

Fritz, P. W.; Niedenzu, K.; Dawson, J. W.; Inorganic Chemistry; vol. 3; (1964); p. 626 - 626 ; (from Gmelin), View in Reaxys

Reaction with substance classes

title compound react with tetraorganyl stannane to (organyl)dihalogenborane

Fritz, P. W.; Niedenzu, K.; Dawson, J. W.; Inorganic Chemistry; vol. 3; (1964); p. 626 - 626 ; (from Gmelin), View in Reaxys

Reaction with substance classes

title compound react with tetraorganylstannane to (organyl)dibromoborane

Fritz, P. W.; Niedenzu, K.; Dawson, J. W.; Inorganic Chemistry; vol. 3; (1964); p. 626 - 626 ; (from Gmelin), View in Reaxys

Reaction with substance classes

title compound react with tetraorganylstannane to (organyl)dibromoborane

Gerrard, W.; Mooney, E. F.; Rees, R. G.; Journal of the Chemical Society; (1964); p. 740 - 745 ; (from Gmelin), View in Reaxys

Reaction with substance classes

title compound react with aromatic hydrocarbon to (aryl)dibromoborane

Bowie; Musgrave; Proceedings of the Chemical Society, London; (1964); p. 15 ; (from Gmelin), View in Reaxys

Reaction with substance classes

title compound re- Gerrard, W.; Mooney, E. F.; Rees, R. G.; Journal of the Chemical Society; (1964); p. 740 - 745 ; act with tetraorga(from Gmelin), View in Reaxys nylstannane to (diorganyl)bromoborane

Reaction with substance classes

Patent; Stern, D. R.; Washburn, R. M.; US3092652; (1963); C.A.; vol. 59; (1963); p. 11556 ; (from Gmelin), View in Reaxys

Reaction with substance classes

title compound react with tetraorganylstannane to (organyl)dibromoborane

Noeth, H.; Fritz, P.; Zeitschrift fuer Anorganische und Allgemeine Chemie; vol. 322; (1963); p. 297 - 308 ; (from Gmelin), View in Reaxys

Reaction with substance classes

title compound react with aromatic hydrocarbon to (aryl)dibromoborane

Patent; Stern, D. R.; Washburn, R. M.; US3092652; (1963); C.A.; vol. 59; (1963); p. 11556 ; (from Gmelin), View in Reaxys

Reaction with substance classes

title compound re- Gerrard, W.; Howarth, M.; Mooney, E. F.; Pratt, D. E.; Journal of the Chemical Society; act with mercury (1963); p. 1582 - 1584 ; (from Gmelin), View in Reaxys organyl to (diorganyl)dibromoborane

Reaction with substance classes

title compound react with mercury organyl to (organyl)dibromoborane

Gerrard, W.; Howarth, M.; Mooney, E. F.; Pratt, D. E.; Journal of the Chemical Society; (1963); p. 1582 - 1584 ; (from Gmelin), View in Reaxys

Reaction with substance classes

title compound react with organylboroxine to (organyl)dibromoborane

Mikhailov, B. M.; Kozminskaya, T. K.; Bull. Acad. Sci. USSR Div. Chem. Sci.; (1962); p. 239 237 ; (from Gmelin), View in Reaxys

Reaction with substance classes

title compound react with triorganylborane to (organyl)dibromoborane

Mikhailov, B. M.; Kozminskaya, T. K.; Zhurnal Obshchei Khimii; vol. 30; (1960); p. 3587 3591; Zhurnal Obshchei Khimii; vol. 30; (1960); p. 3619 - 3624 ; (from Gmelin), View in Reaxys

Reaction with substance classes

Patent; Hoffmann, A. K.; Groszos, St. J.; US2882317; (1959); C.A.; (1959); p. 16062 ; (from Gmelin), View in Reaxys

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Reaction with substance classes

title compound react with organylboroxine to (organyl)dibromoborane

Mikhailov, B. M.; Kozminskaya, T. K.; Bull. Acad. Sci. USSR Div. Chem. Sci.; (1959); p. 1785 - 1789 ; (from Gmelin), View in Reaxys

Reaction with substance classes

title compound react with aromatic hydrocarbon to (aryl)dibromoborane

Bujwid, Z. J.; Gerrard, W.; Lappert, M. F.; Chemistry and Industry (London, United Kingdom); (1959); p. 1091 - 1092 ; (from Gmelin), View in Reaxys

Reaction with substance classes

title compound re- Bartocha, B.; Douglas, C. M.; Gray, M. Y.; Zeitschrift fuer Naturforschung; vol. 14b; (1959); p. act with mercury 809 - 811 ; (from Gmelin), View in Reaxys organyl to (diorganyl)dibromoborane

Reaction with substance classes

title compound react with mercury organyl to (organyl)dibromoborane

Bartocha, B.; Douglas, C. M.; Gray, M. Y.; Zeitschrift fuer Naturforschung; vol. 14b; (1959); p. 809 - 811 ; (from Gmelin), View in Reaxys

Reaction with substance classes

title compound react with hydrocarbon to (organyl)dibromoborane

Bujwid, Z. J.; Gerrard, W.; Lappert, M. F.; Chemistry and Industry (London, United Kingdom); (1959); p. 1091 - 1092 ; (from Gmelin), View in Reaxys

Reaction with substance classes

title compound react with hydrocarbon to (organyl)dibromoborane

Patent; Hoffmann, A. K.; Groszos, St. J.; US2882317; (1959); C.A.; (1959); p. 16062 ; (from Gmelin), View in Reaxys

Reaction with substance classes

title compound re- Gilman; Moore; Journal of the American Chemical Society; vol. 80; (1958); p. 3609 ; (from act with mercury Gmelin), View in Reaxys organyl to (diorganyl)dibromoborane

Reaction with substance classes

title compound react with mercury organyl to (organyl)dibromoborane

Gilman; Moore; Journal of the American Chemical Society; vol. 80; (1958); p. 3609 ; (from Gmelin), View in Reaxys

Reaction with substance classes

title compound react with tris(organyl)borane

McCusker et al.; Journal of the American Chemical Society; vol. 79; (1957); p. 5192 ; (from Gmelin), View in Reaxys

Reaction with substance classes

title compound react with tris(alkyl)boroxine to (alkyl)dibromoborane

McCusker et al.; Journal of the American Chemical Society; vol. 79; (1957); p. 5182 ; (from Gmelin), View in Reaxys

Reaction with substance classes

title compound react with tris(alkyl)boroxine to (alkyl)dibromoborane

McCusker et al.; Journal of the American Chemical Society; vol. 79; (1957); p. 5182 ; (from Gmelin), View in Reaxys

Reaction with substance classes

title compound react with organylboroxine to (organyl)dibromoborane

Abel, E. W.; Gerrard, W.; Lappert, M. F.; Journal of the Chemical Society; (1957); p. 5051 5054 ; (from Gmelin), View in Reaxys

Reaction with substance classes

title compound react with tris(alkyl)boroxine to (alkyl)dibromoborane

Brindley, B. P.; Gerrard, W.; Lappert, M. F.; Journal of the Chemical Society; (1956); p. 824 828 ; (from Gmelin), View in Reaxys

Reaction with substance classes

title compound react with tris(alkyl)boroxine to (alkyl)dibromoborane

McCusker; Glunz; Journal of the American Chemical Society; vol. 77; (1955); p. 4253 ; (from Gmelin), View in Reaxys

Reaction with substance classes

title compound react with tris(alkyl)boroxine to (alkyl)dibromoborane

Burg, A. B.; Journal of the American Chemical Society; vol. 62; (1940); p. 2228 - 2234 ; (from Gmelin), View in Reaxys

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Reaction with substance classes

title compound react with triorganyl phosphinsulfides

vol. B: B-Verb.3; 3.6, page 65 - 69 ; (from Gmelin), View in Reaxys

Reaction with substance classes

title compound react with triorganyl phosphinsulfides

Kinberger, K.; Dipl.-Arbeit Wuerzburg 1973 ; (from Gmelin), View in Reaxys

Reaction with substance classes

title compound react with tetraorganyl stannane to (diorganyl)halogenborane

vol. B: B-Verb.9; 4.2.1, page 116 - 119 ; (from Gmelin), View in Reaxys

Reaction with substance classes

title compound react with tetraorganyl stannane to (organyl)dihalogenborane

vol. B: B-Verb.9; 4.2.1, page 116 - 119 ; (from Gmelin), View in Reaxys

Reaction with substance classes

title compound react with tris(organyl)borane

vol. B: B-Verb.9; 4.2.2.2, page 119 - 121 ; (from Gmelin), View in Reaxys

Reaction with substance classes

title compound react with tris(alkyl)boroxine to (alkyl)dibromoborane

vol. B: B-Verb.9; 4.2.2.4, page 121 - 122 ; (from Gmelin), View in Reaxys

Reaction with substance classes

title compound react with organylboroxine to (organyl)dibromoborane

vol. B: B-Verb.9; 5.3.1, page 232 - 232 ; (from Gmelin), View in Reaxys

Reaction with substance classes

title compound react with tetraorganylstannane to (organyl)dibromoborane

vol. B: B-Verb.9; 5.3.1, page 232 - 232 ; (from Gmelin), View in Reaxys

Reaction with substance classes

title compound re- vol. B: B-Verb.9; 5.3.1, page 232 - 232 ; (from Gmelin), View in Reaxys act with trialkylalane to (alkyl)dibromoborane

Reaction with substance classes

title compound react with triorganylborane to (organyl)dibromoborane

vol. B: B-Verb.9; 5.3.1, page 232 - 232 ; (from Gmelin), View in Reaxys

Reaction with substance classes

title compound react with aromatic hydrocarbon to (aryl)dibromoborane

vol. B: B-Verb.9; 4.2.3.2, page 122 - 124 ; (from Gmelin), View in Reaxys

Reaction with substance classes

title compound re- vol. B: B-Verb.9; 4.2.1, page 116 - 119 ; (from Gmelin), View in Reaxys act with mercury organyl to (diorganyl)dibromoborane

Reaction with substance classes

title compound react with mercury organyl to (organyl)dibromoborane

vol. B: B-Verb.9; 4.2.1, page 116 - 119 ; (from Gmelin), View in Reaxys

Reaction with substance classes

title compound react with triorganylborane to (diorganyl)bromoborane

vol. B: B-Verb.9; 6.3.1, page 302 - 303 ; (from Gmelin), View in Reaxys

Reaction with substance classes

title compound re- vol. B: B-Verb.9; 6.3.1, page 302 - 303 ; (from Gmelin), View in Reaxys act with tetraorganylstannane to (diorganyl)bromoborane

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Reaction with substance classes

title compound react with hydrocarbon to (organyl)dibromoborane

Heat Capacity Cp (9) Heat Capacity Cp Temperature (Heat [Jmol-1K-1] Capacity Cp) [°C] 44.3801

vol. B: B-Verb.9; 5.3.1, page 232 - 232 ; (from Gmelin), View in Reaxys

Comment (Heat Capacity Cp)

24.84 - 90.84

References Benson, Sidney W.; Journal of Physical Chemistry A; vol. 103; nb. 51; (1999); p. 11481 - 11485 ; (from Gmelin), View in Reaxys

67.99

Stolevik, Reidar; Acta Chemica Scandinavica; vol. 43; nb. 8; (1989); p. 758 - 762 ; (from Gmelin), View in Reaxys

68.01

25.01

Gaseous

Spencer, H. M.; Journal of Chemical Physics; vol. 14; (1946); p. 729 - 732, View in Reaxys; vol. B: SVol.1; 4.6, page 204 - 209 ; (from Gmelin), View in Reaxys

72.87

127

Gaseous

Spencer, H. M.; Journal of Chemical Physics; vol. 14; (1946); p. 729 - 732, View in Reaxys; vol. B: SVol.1; 4.6, page 204 - 209 ; (from Gmelin), View in Reaxys

75.76

227

Gaseous

Spencer, H. M.; Journal of Chemical Physics; vol. 14; (1946); p. 729 - 732, View in Reaxys; vol. B: SVol.1; 4.6, page 204 - 209 ; (from Gmelin), View in Reaxys

77.77

327

Gaseous

Spencer, H. M.; Journal of Chemical Physics; vol. 14; (1946); p. 729 - 732, View in Reaxys; vol. B: SVol.1; 4.6, page 204 - 209 ; (from Gmelin), View in Reaxys

79.94

527

Gaseous

Spencer, H. M.; Journal of Chemical Physics; vol. 14; (1946); p. 729 - 732, View in Reaxys; vol. B: SVol.1; 4.6, page 204 - 209 ; (from Gmelin), View in Reaxys

81.07

727

Gaseous

Spencer, H. M.; Journal of Chemical Physics; vol. 14; (1946); p. 729 - 732, View in Reaxys; vol. B: SVol.1; 4.6, page 204 - 209 ; (from Gmelin), View in Reaxys

Interatomic Distances and Angles (5) Description Comment (Interatomic Distances and Angles)

References

Interatomic distances and angles

Single Crystal Xray Diffraction

Santiso-Quinones, Gustavo; Krossing, Ingo; Zeitschrift fur Anorganische und Allgemeine Chemie; vol. 634; nb. 4; (2008); p. 704 - 707 ; (from Gmelin), View in Reaxys

Interatomic distances and angles

EXAFS spectrosco- Filipponi; D' Angelo; Journal of Chemical Physics; vol. 109; nb. 13; (1998); p. 5356 - 5362 ; py (from Gmelin), View in Reaxys

Interatomic distances and angles

Electron Diffraction Martinsen, Kjell-Gunnar; Vogt, Natalja; Volden, Hans Vidar; Lyutsarev, Vasilii S.; Vogt, Juergen; Journal of Molecular Structure; vol. 385; nb. 3; (1996); p. 159 - 165, View in Reaxys; Levy, H. A.; Brockway, L. O.; Journal of the American Chemical Society; vol. 59; (1937); p. 2085 - 2092, View in Reaxys; vol. B: SVol.1; 4.6, page 204 - 209 ; (from Gmelin), View in Reaxys

Interatomic distances and angles

Empirical calcn. (phys. properties)

Interatomic distances and angles

Laubengayer, A. W.; Ferguson, R. P.; Newkirk, A. E.; Journal of the American Chemical Society; vol. 63; (1941); p. 559 - 561, View in Reaxys; Levy, H. A.; Brockway, L. O.; Journal of the American Chemical Society; vol. 59; (1937); p. 2085 - 2092, View in Reaxys; Mulliken, R. S.; Chemical Reviews (Washington, DC, United States); vol. 41; (1947); p. 207 - 217, View in Reaxys; vol. B: SVol.1; 3.2.2, page 73 - 75 ; (from Gmelin), View in Reaxys Anderson, T. F.; Lassettre, E. N.; Yost, D. M.; Journal of Chemical Physics; vol. 4; (1936); p. 703 - 707, View in Reaxys; Spencer, H. M.; Journal of Chemical Physics; vol. 14; (1946); p. 729 732 ; (from Gmelin), View in Reaxys

Ionization Potential (2) Comment (Ioniza- References tion Potential)

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higher ionization potentials available

Mackie; Shpinkova; Holland; Shaw; Chemical Physics; vol. 288; nb. 2-3; (2003); p. 211 - 240 ; (from Gmelin), View in Reaxys

formation of ions described

Rothe, Erhard W.; Mathur, B. P.; Reck, Gene P.; Inorganic Chemistry; vol. 19; (1980); p. 829 - 831 ; (from Gmelin), View in Reaxys

Mechanical Properties (3) Description (MeComment (MeReferences chanical Properties) chanical Properties) Molar volume

Sladkov, I. B.; Journal of Applied Chemistry USSR (English Translation); vol. 64; (1991); p. 2273 - 2275; Zhurnal Prikladnoi Khimii (Sankt-Peterburg, Russian Federation); vol. 64; (1991); p. 2432 - 2434, View in Reaxys; Shulyndin; Inorganic Materials; vol. 41; nb. 6; (2005); p. 666 672 ; (from Gmelin), View in Reaxys

Molar volume

Solid

Pohland, E.; Z. Anorg. Chem.; vol. 201; (1931); p. 282 - 288, View in Reaxys; vol. B: SVol.1; 4.6, page 204 - 209 ; (from Gmelin), View in Reaxys

Molar volume

Liquid

Pohland, E.; Z. Anorg. Chem.; vol. 201; (1931); p. 282 - 288, View in Reaxys; vol. B: SVol.1; 4.6, page 204 - 209 ; (from Gmelin), View in Reaxys

Molecular Deformation (3) Description (MoReferences lecular Deformation) Fundamental vibra- Martinsen, Kjell-Gunnar; Vogt, Natalja; Volden, Hans Vidar; Lyutsarev, Vasilii S.; Vogt, Juergen; Journal of Motions lecular Structure; vol. 385; nb. 3; (1996); p. 159 - 165, View in Reaxys; Mackie; Shpinkova; Holland; Shaw; Chemical Physics; vol. 288; nb. 2-3; (2003); p. 211 - 240 ; (from Gmelin), View in Reaxys Force constants

Bugaev, V. I.; Bulgakov, N. N.; Yurchenko, E. N.; Journal of Structural Chemistry; vol. 31; nb. 4; (1990); p. 551 - 555; Zhurnal Strukturnoi Khimii; vol. 31; nb. 4; (1990); p. 29 - 34, 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; Martinsen, Kjell-Gunnar; Vogt, Natalja; Volden, Hans Vidar; Lyutsarev, Vasilii S.; Vogt, Juergen; Journal of Molecular Structure; vol. 385; nb. 3; (1996); p. 159 - 165, View in Reaxys; Anderson, T. F.; Lassettre, E. N.; Yost, D. M.; Journal of Chemical Physics; vol. 4; (1936); p. 703 - 707, View in Reaxys; vol. B: SVol.1; 4.6, page 204 - 209, View in Reaxys; Sawodny, W.; Fadini, A.; Baellein, K.; Spectrochimica Acta; vol. 21; (1965); p. 995 1006, View in Reaxys; Wolfram, T.; De Wames, R. E.; Bulletin of the Chemical Society of Japan; vol. 39; (1966); p. 207 - 214, View in Reaxys; vol. B: B-Verb.9; 4.1.6, page 107 - 111, View in Reaxys; Anacona, Juan Roberto; Lorono, Marcos; Journal of Molecular Structure; vol. 304; (1994); p. 279 - 284, View in Reaxys; vol. B: B-Verb.9; 1.2.3.2, page 28 - 31 ; (from Gmelin), View in Reaxys

Centrifugal distortion

Martinsen, Kjell-Gunnar; Vogt, Natalja; Volden, Hans Vidar; Lyutsarev, Vasilii S.; Vogt, Juergen; Journal of Molecular Structure; vol. 385; nb. 3; (1996); p. 159 - 165 ; (from Gmelin), View in Reaxys

Other Thermochemical Data (4) Description (Other Comment (Other Thermochemical Thermochemical Data) Data)

References

Entropy of vaporization

molar entropy of vaporization = 20.46 cal/(mol*K); 364 K

Benson, Sidney W.; Journal of Physical Chemistry A; vol. 103; nb. 51; (1999); p. 11481 - 11485 ; (from Gmelin), View in Reaxys

Entropy of vaporization

molar entropy of Benson, Sidney W.; Journal of Physical Chemistry A; vol. 103; nb. 51; (1999); p. 11481 - 11485 ; vaporization = 22.6 (from Gmelin), View in Reaxys cal/(mol*K); 364 K

Entropy of vaporization

molar entropy of Stoelevik, Reidar; Acta Chemica Scandinavica; vol. 43; nb. 9; (1989); p. 860 - 867 ; (from Gmevaporization = 84 J/ lin), View in Reaxys (mol*K); 92 Deg C

Gibbs free energy

molar Gibbs energy vol. B: SVol.1; 4.6, page 204 - 209, View in Reaxys; Rossini, F. D.; at. al.; Natl. Bur. Stand. Circ. of formation = (U. S.); nb. 500; (1952); p. 316 - 316; Selected values of chemical thermodynamic properties, Cir-213000 J/mol; cular Bur. Stand. Nr. 500 {1952} 1/1268, 316. ; (from Gmelin), View in Reaxys 25.01 Deg C; Gaseous

Solubility (MCS) (3) 1 of 3

Comment (Solubility (MCS))

sol. in CH2BrCO2H

Puri,J. K.; Kaur, Jaswinder; Sharma, Vijay; Miller, Jack M.; Polyhedron; vol. 2; (1983); p. 1287 - 1296 ; (from Gmelin), View in Reaxys

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2 of 3

Comment (Solubility (MCS))

well soluble in CCl4, CS2, benzene

Johnson, A. R.; Journal of Physical Chemistry; vol. 16; (1912); p. 1, View in Reaxys; Stock; Poppenberg; Ber.; vol. 34; (1901); p. 399, View in Reaxys; vol. B: MVol.; 10.1.2, page 125 - 125 ; (from Gmelin), View in Reaxys 3 of 3

Comment (Solubility (MCS))

readily sol. in POCl3;

Oddo, G.; Tealdi, M.; Gazzetta Chimica Italiana; vol. 33; nb. II; (1903); p. 427 - 449, View in Reaxys; vol. P: MVol.C; 207, page 475 - 478 ; (from Gmelin), View in Reaxys Space Group (2) Space Group

Comment (Space Group)

References

176

a = 6.4304 Angstroem, c = 6.8466 Angstroem; Z = 2; T = 100 K

Santiso-Quinones, Gustavo; Krossing, Ingo; Zeitschrift fur Anorganische und Allgemeine Chemie; vol. 634; nb. 4; (2008); p. 704 - 707 ; (from Gmelin), View in Reaxys

173

a = 6.406 Angstroem, c = 6.864 Angstroem; Z = 2

Rollier, M. A.; Riva, A.; Gazzetta Chimica Italiana; vol. 77; (1947); p. 361 - 366, View in Reaxys; vol. B: SVol.1; 4.6, page 204 - 209 ; (from Gmelin), View in Reaxys

Surface Tension (1) Surface Tension Temperature (Sur[g·s-2] face Tension) [°C] 27.78

Thermal Expansion (1) Coefficient [1/K] Kind of Expansion 0.0026

linear expansion

References Laubengayer, A. W.; Ferguson, R. P.; Newkirk, A. E.; Journal of the American Chemical Society; vol. 63; (1941); p. 559 - 561, View in Reaxys; vol. B: SVol.1; 4.6, page 204 - 209 ; (from Gmelin), View in Reaxys References Pohland, E.; Z. Anorg. Chem.; vol. 201; (1931); p. 282 - 288, View in Reaxys; vol. B: SVol.1; 4.6, page 204 - 209 ; (from Gmelin), View in Reaxys

Transport Phenomena (MCS) (1) 1 of 1

Description (Transport Phenomena (MCS))

Diffusion

Partner (Transport Phenomena (MCS))

Si(100) wafers

Thomson, Andrew F.; McIntosh, Keith R.; Applied Physics Letters; vol. 95; nb. 5; (2009); Art.No: 052101 ; (from Gmelin), View in Reaxys Vapour Pressure (28) Vapour Pressure Temperature (Va[Torr] pour Pressure) [°C]

Comment (Vapour Pressure)

References

vapor pressure equation

Pohland, E.; Z. Anorg. Chem.; vol. 201; (1931); p. 282 - 288, View in Reaxys; vol. B: SVol.1; 4.6, page 204 - 209, View in Reaxys; Grigor'ev, A. A.; Kondrat'ev, Yu. V.; Suvorov, A. V.; Nikolaeva, V. I.; Journal of General Chemistry USSR (English Translation); vol. 59; (1989); p. 1634 - 1641; Zhurnal Obshchei Khimii; vol. 59; (1989); p. 1833 - 1841 ; (from Gmelin), View in Reaxys

10.5

-10

Stock; Kuss; Ber.; vol. 47; (1914); p. 3114, View in Reaxys; vol. B: MVol.; 10.1.2, page 125 - 125 ; (from Gmelin), View in Reaxys

106

Stock; Kuss; Ber.; vol. 47; (1914); p. 3114, View in Reaxys; vol. B: MVol.; 10.1.2, page 125 - 125 ; (from Gmelin), View in Reaxys

130

Stock; Kuss; Ber.; vol. 47; (1914); p. 3114, View in Reaxys; vol. B: MVol.; 10.1.2, page 125 - 125 ; (from Gmelin), View in Reaxys

-5

Stock; Kuss; Ber.; vol. 47; (1914); p. 3114, View in Reaxys; vol. B: MVol.; 10.1.2, page 125 - 125 ; (from Gmelin), View in Reaxys

159

Stock; Kuss; Ber.; vol. 47; (1914); p. 3114, View in Reaxys; vol. B: MVol.; 10.1.2, page 125 - 125 ; (from Gmelin), View in Reaxys

1.5

-40

Stock; Kuss; Ber.; vol. 47; (1914); p. 3114, View in Reaxys; vol. B: MVol.; 10.1.2, page 125 - 125 ; (from Gmelin), View in Reaxys

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193

Stock; Kuss; Ber.; vol. 47; (1914); p. 3114, View in Reaxys; vol. B: MVol.; 10.1.2, page 125 - 125 ; (from Gmelin), View in Reaxys

233

Stock; Kuss; Ber.; vol. 47; (1914); p. 3114, View in Reaxys; vol. B: MVol.; 10.1.2, page 125 - 125 ; (from Gmelin), View in Reaxys

280

Stock; Kuss; Ber.; vol. 47; (1914); p. 3114, View in Reaxys; vol. B: MVol.; 10.1.2, page 125 - 125 ; (from Gmelin), View in Reaxys

330

Stock; Kuss; Ber.; vol. 47; (1914); p. 3114, View in Reaxys; vol. B: MVol.; 10.1.2, page 125 - 125 ; (from Gmelin), View in Reaxys

390

Stock; Kuss; Ber.; vol. 47; (1914); p. 3114, View in Reaxys; vol. B: MVol.; 10.1.2, page 125 - 125 ; (from Gmelin), View in Reaxys

-30

Stock; Kuss; Ber.; vol. 47; (1914); p. 3114, View in Reaxys; vol. B: MVol.; 10.1.2, page 125 - 125 ; (from Gmelin), View in Reaxys

470

Stock; Kuss; Ber.; vol. 47; (1914); p. 3114, View in Reaxys; vol. B: MVol.; 10.1.2, page 125 - 125 ; (from Gmelin), View in Reaxys

-25

Stock; Kuss; Ber.; vol. 47; (1914); p. 3114, View in Reaxys; vol. B: MVol.; 10.1.2, page 125 - 125 ; (from Gmelin), View in Reaxys

540

Stock; Kuss; Ber.; vol. 47; (1914); p. 3114, View in Reaxys; vol. B: MVol.; 10.1.2, page 125 - 125 ; (from Gmelin), View in Reaxys

5.5

-20

Stock; Kuss; Ber.; vol. 47; (1914); p. 3114, View in Reaxys; vol. B: MVol.; 10.1.2, page 125 - 125 ; (from Gmelin), View in Reaxys

630

Stock; Kuss; Ber.; vol. 47; (1914); p. 3114, View in Reaxys; vol. B: MVol.; 10.1.2, page 125 - 125 ; (from Gmelin), View in Reaxys

730

Stock; Kuss; Ber.; vol. 47; (1914); p. 3114, View in Reaxys; vol. B: MVol.; 10.1.2, page 125 - 125 ; (from Gmelin), View in Reaxys

0.7

-50

Stock; Kuss; Ber.; vol. 47; (1914); p. 3114, View in Reaxys; vol. B: MVol.; 10.1.2, page 125 - 125 ; (from Gmelin), View in Reaxys

-15

Stock; Kuss; Ber.; vol. 47; (1914); p. 3114, View in Reaxys; vol. B: MVol.; 10.1.2, page 125 - 125 ; (from Gmelin), View in Reaxys

NMR Spectroscopy (13) 1 of 13

Description (NMR Spectroscopy)

Chemical shifts

Nucleus (NMR Spectroscopy)

11B

Solvents (NMR Spectroscopy)

benzene-d6

Frequency (NMR Spectro- 160.4 scopy) [MHz] Location

supporting information

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Hickox, Hunter P.; Wang, Yuzhong; Luedecke, Kaitlin M.; Xie, Yaoming; Wei, Pingrong; Carrillo, Deidrah; Dominique, Nathaniel L.; Cui, Dongtao; Schaefer, Henry F.; Robinson, Gregory H.; Dalton Transactions; vol. 47; nb. 1; (2018); p. 41 44, View in Reaxys 2 of 13

Description (NMR Spectroscopy)

Chemical shifts

Nucleus (NMR Spectroscopy)

11B

Solvents (NMR Spectroscopy)

dichloromethane-d2

Temperature (NMR Spectroscopy) [°C]

-78

Location

supporting information

Hatano, Manabu; Goto, Yuta; Izumiseki, Atsuto; Akakura, Matsujiro; Ishihara, Kazuaki; Journal of the American Chemical Society; vol. 137; nb. 42; (2015); p. 13472 - 13475, View in Reaxys 3 of 13

Nucleus (NMR Spectroscopy)

11B

Solvents (NMR Spectroscopy)

hexane

Temperature (NMR Spectroscopy) [°C]

Comment (NMR Spectroscopy)

Signals given

Wrackmeyer, Bernd; Klimkina, Elena V.; Milius, Wolfgang; European Journal of Inorganic Chemistry; nb. 28; (2011); p. 4481 - 4492 ; (from Gmelin), View in Reaxys 4 of 13

Description (NMR Spectroscopy)

Spectrum

Nucleus (NMR Spectroscopy)

11B

Solvents (NMR Spectroscopy)

CDCl3

Verma, Sanjiv; Hanack, Michael; Zeitschrift fur Anorganische und Allgemeine Chemie; vol. 629; nb. 5; (2003); p. 880 - 892 ; (from Gmelin), View in Reaxys 5 of 13

Nucleus (NMR Spectroscopy)

11B

Solvents (NMR Spectroscopy)

neat (no solvent)

Comment (NMR Spectroscopy)

Signals given

Zaidlewicz, Marek; Binkul, Jacek R.; Sokol, Wojciech; Journal of Organometallic Chemistry; vol. 580; nb. 2; (1999); p. 354 362 ; (from Gmelin), View in Reaxys 6 of 13

Nucleus (NMR Spectroscopy)

11B

Solvents (NMR Spectroscopy)

CDCl3

Comment (NMR Spectroscopy)

Signals given

Frick, Karsten; Ziener, Ulrich; Hanack, Michael; European Journal of Inorganic Chemistry; nb. 8; (1999); p. 1309 - 1313 ; (from Gmelin), View in Reaxys 7 of 13

Nucleus (NMR Spectroscopy)

11B

Solvents (NMR Spectroscopy)

not given

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Comment (NMR Spectroscopy)

Signals given

Oddy,P.R.; Wallbridge,M.G.H.; Journal of the Chemical Society, Dalton Transactions: Inorganic Chemistry (1972-1999); (1976); p. 2076 - 2081, View in Reaxys; Appel, Andrea; Noeth, Heinrich; Schmidt, Martin; Chemische Berichte; vol. 128; nb. 6; (1995); p. 621 - 626, View in Reaxys; Cole, Thomas E.; Quintanilla, Ramona; Rodewald, Stephan; Organometallics; vol. 10; (1991); p. 3777 - 3781, View in Reaxys; Dazord; Mongeot; Atchekzai; Tuchagues; ; vol. 47; (1976); p. 55 - 59 ; (from Gmelin), View in Reaxys 8 of 13

Description (NMR Spectroscopy)

Spectrum

Nucleus (NMR Spectroscopy)

11B

Solvents (NMR Spectroscopy)

not given

Comment (NMR Spectroscopy)

Signals given

Saulys, D. A.; Morrison, J. A.; Inorganic Chemistry; vol. 29; (1990); p. 4174 - 4179 ; (from Gmelin), View in Reaxys 9 of 13

Nucleus (NMR Spectroscopy)

11B

Solvents (NMR Spectroscopy)

further solvent(s)

Comment (NMR Spectroscopy)

Signals given

Saulys, D. A; Castillo, J.; Morrison, J. A.; Inorganic Chemistry; vol. 28; (1989); p. 1619 - 1624 ; (from Gmelin), View in Reaxys 10 of 13

Nucleus (NMR Spectroscopy)

11B

Solvents (NMR Spectroscopy)

dichloromethane-d2

Comment (NMR Spectroscopy)

Signals given

Chehayber, Jaafar M.; Drake, John E.; Inorganica Chimica Acta; vol. 112; (1986); p. 209 - 214 ; (from Gmelin), View in Reaxys 11 of 13

Nucleus (NMR Spectroscopy)

11B

Solvents (NMR Spectroscopy)

benzene-d6

Temperature (NMR Spectroscopy) [°C]

Comment (NMR Spectroscopy)

Signals given

Noeth, Heinrich; Staudigl, Rudolf; Chemische Berichte; vol. 115; nb. 9; (1982); p. 3011 - 3024 ; (from Gmelin), View in Reaxys 12 of 13

Nucleus (NMR Spectroscopy)

11B

Solvents (NMR Spectroscopy)

benzene-d6; toluene

Temperature (NMR Spectroscopy) [°C]

Comment (NMR Spectroscopy)

Signals given

Noeth, Heinrich; Staudigl, Rudolf; Chemische Berichte; vol. 115; nb. 9; (1982); p. 3011 - 3024 ; (from Gmelin), View in Reaxys

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13 of 13

Nucleus (NMR Spectroscopy)

11B

Solvents (NMR Spectroscopy)

benzene-d6

Comment (NMR Spectroscopy)

Signals given

Noeth, Heinrich; Staudigl, Rudolf; Taeger, Tilman; Chemische Berichte; vol. 114; nb. 3; (1981); p. 1157 - 1175 ; (from Gmelin), View in Reaxys IR Spectroscopy (2) 1 of 2

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

solid matrix

Temperature (IR Spectroscopy) [°C]

-258.15

Comment (IR Spectroscopy)

580 cm**-1 - 1070 cm**-1

Miller, J. Houston; Andrews, Lester; Journal of the American Chemical Society; vol. 102; nb. 15; (1980); p. 4900 - 4906 ; (from Gmelin), View in Reaxys 2 of 2

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

CS2

Comment (IR Spectroscopy)

810 cm**-1 - 845 cm**-1

Ramsay, Robert J.; Heal, Henry G.; Garcia-Fernandez, Henri; Journal of the Chemical Society, Dalton Transactions: Inorganic Chemistry (1972-1999); (1976); p. 237 - 241 ; (from Gmelin), View in Reaxys Mass Spectrometry (1) Description (Mass References Spectrometry) Spectrum

Hales, David A.; Kautzman, Kathryn E.; Williams, Nathan G.; Haile, Pamela A.; Barker, Michael P.; Journal of Physical Chemistry A; vol. 111; nb. 12; (2007); p. 2266 - 2275 ; (from Gmelin), View in Reaxys

UV/VIS Spectroscopy (1) 1 of 1

Description (UV/VIS Spectroscopy)

Spectrum

Solvent (UV/VIS Spectroscopy)

solid matrix

Comment (UV/VIS Spectroscopy)

250 nm - 450 nm

Miller, J. Houston; Andrews, Lester; Journal of the American Chemical Society; vol. 102; nb. 15; (1980); p. 4900 - 4906 ; (from Gmelin), View in Reaxys NQR Spectroscopy (1) Description (NQR Nucleus (NQR Spectroscopy) Spectroscopy) Nuclear quadrupole 79Br coupling constants

Comment (NQR Spectroscopy)

References

Spectrum available

Ege, Osamu; Negita, Hisao; Zeitschrift fuer Naturforschung, Teil A: Physik, Physikalische Chemie, Kosmophysik; vol. 45; (1990); p. 599 - 602 ; (from Gmelin), View in Reaxys

Raman Spectroscopy (1) Description (Ram- References an Spectroscopy) Raman

Bunce, S. J.; Edwards, H. G. M.; Lewis, I. R.; Smith, D. N.; Journal of Molecular Structure; vol. 320; (1994); p. 57 64, View in Reaxys; Ananthakrishnan, R.; Proceedings - Indian Academy of Sciences, Section A; vol. 4; (1936); p. 74 - 81, View in Reaxys; Anderson, T. F.; Lassettre, E. N.; Yost, D. M.; Journal of Chemical Physics; vol. 4; (1936); p. 703 - 707, View in Reaxys; Wagner, J.; Zeitschrift fuer Physikalische Chemie, Abteilung A: Chemische Thermodynamik, Kinetik, Elektrochemie, Eigenschaftslehre; vol. 193; (1943); p. 55 - 63, View in Reaxys; vol. B: SVol.1; 4.6, page 204 - 209 ; (from Gmelin), View in Reaxys

Luminescence Spectroscopy (1)

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Description (Luminescence Spectroscopy)

References

X-ray emission spectrum

Filipponi; D' Angelo; Journal of Chemical Physics; vol. 109; nb. 13; (1998); p. 5356 - 5362 ; (from Gmelin), View in Reaxys

Other Spectroscopic Methods (3) Description (Other References Spectroscopic Methods) Photoelectron spec- Sreekanth, C. S.; Mok, C. Y.; Huang, H. H.; Tan, K. L.; Journal of Electron Spectroscopy and Related Phenomena; trum vol. 58; (1992); p. 129 - 140, View in Reaxys; Mackie; Shpinkova; Holland; Shaw; Chemical Physics; vol. 288; nb. 2-3; (2003); p. 211 - 240 ; (from Gmelin), View in Reaxys ESCA

Beach, David B.; Jolly, William L.; Journal of Physical Chemistry; vol. 88; nb. 20; (1984); p. 4647 - 4649, View in Reaxys; Sreekanth, C. S.; Mok, C. Y.; Huang, H. H.; Tan, K. L.; Journal of Electron Spectroscopy and Related Phenomena; vol. 58; (1992); p. 129 - 140 ; (from Gmelin), View in Reaxys

Auger electron spectrum

Cini, M.; Maracci, F.; Platania, R.; Journal of Electron Spectroscopy and Related Phenomena; vol. 41; (1986); p. 37 58 ; (from Gmelin), View in Reaxys

Use (11) Laboratory Use and Use Pattern Handling

Location

Air sensitive

References Ren, Hexiang; Zhang, Ming; Zhang, Aiqin; Synthesis (Germany); vol. 50; nb. 3; (2018); p. 575 - 582; Art.No: SS-2017-H0507-OP, View in Reaxys

Avoid contact with air

supporting informa- Roman, Bart I.; De Ryck, Tine; Patronov, Atanas; Slavov, Svetoslav H.; tion Vanhoecke, Barbara W.A.; Katritzky, Alan R.; Bracke, Marc E.; Stevens, Christian V.; European Journal of Medicinal Chemistry; vol. 101; (2015); p. 627 - 639; Art.No: 7956, View in Reaxys

Avoid contact with water

Corrosive

Toxic

Patent; Chisso Corporation; Chisso Petrochemical Corporation; EP2020407; (2009); (A1) English, View in Reaxys

Catalyst in preparation of derivatized poly(4-hydroxystryrene) (DPHS)

Patent; Sheehan, Michael T.; Zey, Edward G.; US2008/188692; (2008); (A1) English, View in Reaxys

Moisture sensitive

Li, Xun; Reuman, Michael; Russell, Ronald K.; Youells, Scott; Beish, Sandra; Hu, Zhiyong; Branum, Shawn; Jain, Nareshkumar; Sui, Zhihua; Organic Process Research and Development; vol. 11; nb. 4; (2007); p. 731 - 738, View in Reaxys; Hara, Shoji; Suzuki, Akira; Chemler, Sherry R.; Roush, William R.; Organic Syntheses; vol. 75; (1998); p. 129 - 129, View in Reaxys

information on use

Butler; Alper; Chemical Communications; nb. 23; (1998); p. 2575 - 2576, View in Reaxys; Detterbeck, Richard; Hesse, Manfred; Helvetica Chimica Acta; vol. 86; nb. 2; (2003); p. 343 - 360, View in Reaxys; Ishikawa, Toshihiro; Yamamura, Takemi; Okamura, Kiyohito; Nippon Kagaku Kaishi (Journal of the Chemical Society of Japan); (1990); p. 1277 - 1283 ; (from Gmelin), View in Reaxys

moisture sensitive

Aubauer, Christoph; Engelhardt, Guenter; Klapoetke, Thomas M.; Noeth, Heinrich; Schulz, Axel; Warchhold, Marcus; European Journal of

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Inorganic Chemistry; nb. 10; (2000); p. 2245 - 2253 ; (from Gmelin), View in Reaxys decompn. with water by explosion

Gautier, H.; Ann. Chim. Phys.; vol. 18; nb. 7; (1899); p. 372, View in Reaxys; Gautier, H.; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 129; (1899); p. 678, View in Reaxys; vol. B: MVol.; 10.1.3, page 125 - 126 ; (from Gmelin), View in Reaxys

Quantum Chemical Calculations (35) Calculated Proper- Method (Quantum ties Chemical Calculations) Total energy; Atom distances, angles; Dipole moment, dipole moment derivative

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-Ă , Hartree-Fock)

Location

References

supporting informa- Marquardt, Christian; Kahoun, Tobias; Baumann, Josef; Timoshkin, tion Alexey Y.; Scheer, Manfred; Zeitschrift fur Anorganische und Allgemeine Chemie; vol. 643; nb. 21; (2017); p. 1326 - 1330, View in Reaxys

Atom distances, an- further quantum gles; Dissociation chemical calcns. energy, bonding energy

Grant, Daniel J.; Dixon, David A.; Journal of Physical Chemistry A; vol. 113; nb. 4; (2009); p. 777 - 787 ; (from Gmelin), View in Reaxys

Electron affinity; Ab initio calcns. Population analysis, (LCAO, GO SCF, charge distribution DIM, SAMO, X-alpha, Hartree-Fock)

Grant, Daniel J.; Dixon, David A.; Camaioni, Donald; Potter, Robert G.; Christe, Karl O.; Inorganic Chemistry; vol. 48; nb. 18; (2009); p. 8811 - 8821 ; (from Gmelin), View in Reaxys

Electron affinity

further quantum chemical calcns.

Grant, Daniel J.; Dixon, David A.; Camaioni, Donald; Potter, Robert G.; Christe, Karl O.; Inorganic Chemistry; vol. 48; nb. 18; (2009); p. 8811 - 8821 ; (from Gmelin), View in Reaxys

Molecular orbitals; Electronic energy levels; Transition energies

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, Hartree-Fock)

Raabe, Ines; Himmel, Daniel; Mueller, Sonja; Trapp, Nils; Kaupp, Martin; Krossing, Ingo; Dalton Transactions; vol. 8; nb. 7; (2008); p. 946 956 ; (from Gmelin), View in Reaxys

Atom distances, an- further quantum gles chemical calcns.

Raabe, Ines; Himmel, Daniel; Krossing, Ingo; Journal of Physical Chemistry A; vol. 111; nb. 50; (2007); p. 13209 - 13217, View in Reaxys; Santiso-Quinones, Gustavo; Krossing, Ingo; Zeitschrift fur Anorganische und Allgemeine Chemie; vol. 634; nb. 4; (2008); p. 704 - 707 ; (from Gmelin), View in Reaxys

Atom distances, an- Ab initio calcns. gles (LCAO, GO SCF, DIM, SAMO, X-alpha, Hartree-Fock)

Aubauer, Christoph; Engelhardt, Guenter; Klapoetke, Thomas M.; Noeth, Heinrich; Schulz, Axel; Warchhold, Marcus; European Journal of Inorganic Chemistry; nb. 10; (2000); p. 2245 - 2253, View in Reaxys; Santiso-Quinones, Gustavo; Krossing, Ingo; Zeitschrift fur Anorganische und Allgemeine Chemie; vol. 634; nb. 4; (2008); p. 704 - 707 ; (from Gmelin), View in Reaxys

Atom distances, an- Electron correlation gles and CI calcn.

Krossing, Ingo; Raabe, Ines; Journal of the American Chemical Society; vol. 126; nb. 24; (2004); p. 7571 - 7577, View in Reaxys; Mercier, Helene P. A.; Moran, Matthew D.; Schrobilgen, Gary J.; Steinberg, Christoph; Suontamo, Reijo J.; Journal of the American Chemical Society; vol. 126; nb. 17; (2004); p. 5533 - 5548, View in Reaxys; Vianello, Robert; Maksic, Zvonimir B.; Inorganic Chemistry; vol. 44; nb. 4; (2005); p. 1095 - 1102, View in Reaxys; Santiso-Quinones, Gustavo; Krossing, Ingo; Zeitschrift fur Anorganische und Allgemeine Chemie; vol. 634; nb. 4; (2008); p. 704 707 ; (from Gmelin), View in Reaxys

Atom distances, an- Ab initio calcns. gles; Molecular or- (LCAO, GO SCF, bitals DIM, SAMO, X-alpha, Hartree-Fock)

Population analysis, further quantum charge distribution; chemical calcns. Electron affinity; Dissociation energy, bonding energy; Ionization potential, orbital energy

Vianello, Robert; Maksic, Zvonimir B.; Inorganic Chemistry; vol. 44; nb. 4; (2005); p. 1095 - 1102 ; (from Gmelin), View in Reaxys

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Atom distances, angles; NMR shifts, signals, intensities, transition moments

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, Hartree-Fock)

Mercier, Helene P. A.; Moran, Matthew D.; Schrobilgen, Gary J.; Steinberg, Christoph; Suontamo, Reijo J.; Journal of the American Chemical Society; vol. 126; nb. 17; (2004); p. 5533 - 5548 ; (from Gmelin), View in Reaxys

Total energy

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, Hartree-Fock)

Aubauer; Irran; Klapoetke; Schnick; Schulz; Senker; Inorganic Chemistry; vol. 40; nb. 19; (2001); p. 4956 - 4965 ; (from Gmelin), View in Reaxys

Ionization potential, Ab initio calcns. orbital energy (LCAO, GO SCF, DIM, SAMO, X-alpha, Hartree-Fock)

Cavigliasso; Chong; Canadian Journal of Chemistry; vol. 77; nb. 1; (1999); p. 24 - 27 ; (from Gmelin), View in Reaxys

Polarizability, polarizability derivatives

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, Hartree-Fock)

Keir, Roland I.; Ritchie, Geoffrey L.D.; Chemical Physics Letters; vol. 290; nb. 4-6; (1998); p. 409 - 414 ; (from Gmelin), View in Reaxys

Polarizability, polarizability derivatives; Quadrupole moment

Electron correlation and CI calcn.

Keir, Roland I.; Ritchie, Geoffrey L.D.; Chemical Physics Letters; vol. 290; nb. 4-6; (1998); p. 409 - 414 ; (from Gmelin), View in Reaxys

Atom distances, an- Electron correlation gles; Population and CI calcn. analysis, charge distribution

Frenking, Gernot; Fau, Stefan; Marchand, Christina M.; Gruetzmacher, Hansjoerg; Journal of the American Chemical Society; vol. 119; nb. 28; (1997); p. 6648 - 6655 ; (from Gmelin), View in Reaxys

Atom distances, an- Ab initio calcns. gles; Vibrational (LCAO, GO SCF, constants DIM, SAMO, X-alpha, Hartree-Fock)

Martinsen, Kjell-Gunnar; Vogt, Natalja; Volden, Hans Vidar; Lyutsarev, Vasilii S.; Vogt, Juergen; Journal of Molecular Structure; vol. 385; nb. 3; (1996); p. 159 - 165 ; (from Gmelin), View in Reaxys

Atom distances, angles; IR bands, intensities, transition moments

Semi-empirical NDO calcns. (CNDO, INDO, MINDO, PCILO)

Boyd, Peter D. W.; Taylor, Michael J.; Inorganica Chimica Acta; vol. 193; (1992); p. 1 - 4 ; (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

Molecular orbitals; Ab initio calcns. Ionization potential, (LCAO, GO SCF, orbital energy DIM, SAMO, X-alpha, Hartree-Fock)

Sreekanth, C. S.; Mok, C. Y.; Huang, H. H.; Tan, K. L.; Journal of Electron Spectroscopy and Related Phenomena; vol. 58; (1992); p. 129 - 140 ; (from Gmelin), View in Reaxys

Atom distances, angles; Molecular orbitals; Electronic energy levels

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, Hartree-Fock)

Branchadell, Vicenc; Oliva, Antonio; Journal of the American Chemical Society; vol. 113; nb. 11; (1991); p. 4132 - 4136, View in Reaxys; Hirota, Fumihiko; Miyata, Koji; Shibata, Shuzo; Journal of Molecular Structure: THEOCHEM; vol. 201; nb. C; (1989); p. 99 - 111 ; (from Gmelin), View in Reaxys

Force constant; Vibrational constants

Semi-empirical NDO calcns. (CNDO, INDO, MINDO, PCILO)

Seeger, D. M.; Korzeniewski, C.; Kowalchyk, W.; Journal of Physical Chemistry; vol. 95; nb. 18; (1991); p. 6871 - 6879 ; (from Gmelin), View in Reaxys

Electronic energy levels

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, Hartree-Fock)

Novak, I.; Inorganica Chimica Acta; vol. 181; (1991); p. 281 - 284 ; (from Gmelin), View in Reaxys

Molecular orbitals; Electronic energy levels; Atom distances, angles

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, Hartree-Fock)

Branchadell, Vicenc; Oliva, Antonio; Journal of Molecular Structure; vol. 236; (1991); p. 75 - 84 ; (from Gmelin), View in Reaxys

Dissociation enerAb initio calcns. gy, bonding energy; (LCAO, GO SCF, Force constant DIM, SAMO, X-alpha, Hartree-Fock)

Yurchenko, E. N.; Bulgakov, N. N.; Osipova, G. E.; Journal of Molecular Structure; vol. 218; (1990); p. 231 - 236 ; (from Gmelin), View in Reaxys

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Ionization potential, orbital energy; Atom distances, angles

Semi-empirical NDO calcns. (CNDO, INDO, MINDO, PCILO)

Dewar, Michael J. S.; Jie, Caoxian; Zoebisch, Eve G.; Organometallics; vol. 7; (1988); p. 513 - 521 ; (from Gmelin), View in Reaxys

Electronic energy levels; Molecular orbitals

Electron correlation and CI calcn.

Kharabaev, N. N.; Breus, S. F.; Kogan, V. A.; Geguzin, I. I.; Osipov, O. A.; Sov. J. Coord. Chem. (Engl. Transl.); vol. 13; (1987); p. 756 - 760; Koordinatsionnaya Khimiya; vol. 13; (1987); p. 1325 - 1328 ; (from Gmelin), View in Reaxys

Electronic energy levels

Semi-empirical NDO calcns. (CNDO, INDO, MINDO, PCILO)

Kharabaev, N. N.; Breus, S. F.; Kogan, V. A.; Osipov, O. A.; Journal of General Chemistry USSR (English Translation); vol. 56; (1986); p. 2418 2422; Zhurnal Obshchei Khimii; vol. 56; (1986); p. 2731 - 2735 ; (from Gmelin), View in Reaxys

Molecular orbitals

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, Hartree-Fock)

Kharabaev, N. N.; Breus, S. F.; Kogan, V. A.; Theoretical and Experimental Chemistry; vol. 22; (1986); p. 67 - 70; Teoreticheskaya i Eksperimental'naya Khimiya; vol. 22; (1986); p. 75 - 78 ; (from Gmelin), View in Reaxys

NQR quadrupole splitting; Electric field gradient; Population analysis, charge distribution

Other semi-empirical calcns. (Hueckel, PPP)

Bowmaker, Graham A.; Boyd, Peter D. W.; Sorrenson, Richard J.; Journal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics; vol. 81; (1985); p. 1023 - 1034 ; (from Gmelin), View in Reaxys

Molecular orbitals; Electronic energy levels

Semi-empirical NDO calcns. (CNDO, INDO, MINDO, PCILO)

Kharabaev, N. N.; Kogan, V. A.; Osipov, O. A.; Sov. J. Coord. Chem. (Engl. Transl.); vol. 9; (1983); p. 113 - 116; Koordinatsionnaya Khimiya; vol. 9; (1983); p. 186 - 189 ; (from Gmelin), View in Reaxys

Electronic energy levels; Molecular orbitals

Semi-empirical NDO calcns. (CNDO, INDO, MINDO, PCILO)

Kharabaev, N. N.; Breus, S. F.; Kogan, V. A.; Osipov, O. A.; Sov. J. Coord. Chem. (Engl. Transl.); vol. 9; (1983); p. 194 - 196; Koordinatsionnaya Khimiya; vol. 9; (1983); p. 322 - 325 ; (from Gmelin), View in Reaxys

Electron distribution

Semi-empirical NDO calcns. (CNDO, INDO, MINDO, PCILO)

Kharabaev, N. N.; Kogan, V. A.; Osipov, O. A.; Journal of General Chemistry USSR (English Translation); vol. 52; (1982); p. 2314 - 2316; Zhurnal Obshchei Khimii; vol. 52; (1982); p. 2617 - 2620 ; (from Gmelin), View in Reaxys

Shielding constant

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-alpha, Hartree-Fock)

Ionov, S. P.; Lyubimov, V. S.; Russian Journal of Physical Chemistry (Translation of Zhurnal Fizicheskoi Khimii); vol. 54; (1980); p. 5 - 12; Zhurnal Fizicheskoi Khimii; vol. 54; (1980); p. 9 - 21 ; (from Gmelin), View in Reaxys

Molecular orbitals

further quantum chemical calcns.

Cotton, F. A.; Leto, J. R.; Journal of Chemical Physics; vol. 30; (1959); p. 993 - 998, View in Reaxys; vol. B: B-Verb.3; 3.1, page 51 - 52 ; (from Gmelin), View in Reaxys

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