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American International Journal of Research in Formal, Applied & Natural Sciences

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ISSN (Print): 2328-3777, ISSN (Online): 2328-3785, ISSN (CD-ROM): 2328-3793 AIJRFANS is a refereed, indexed, peer-reviewed, multidisciplinary and open access journal published by International Association of Scientific Innovation and Research (IASIR), USA (An Association Unifying the Sciences, Engineering, and Applied Research)

Antibacterial Investigations & Spectral Characterization of the Complex of Se4N3Br with Co (II) Compound Govind Kumar Gupta & S.P.S. Jadon Department of Chemistry, S.V. College, Aligarh (U.P.) 202001-India Abstract: On the basis of Mass and I.R. Spectra, the complex of Co(II) with Se4N3Br formulated1 as (Se4N3)4CoCl2, analyzed by recording its U.V., E.P.R. and X.R.D. Spectra. The results have revealed that the complex is conductive and paramagnetic in character with 3d5 configuration, octahedral array and tetragonal packing of the molecules. The complex is 14 mm and 10 mm effective against S. aureus (gram +ve) and E. coli (gram ve) bacteria respectively. Keyword: Magnetic Susceptibility, Se4N3Br, Geometry, Tetragonal. I. Introduction The complexes of Se4N4 & its chloro derivatives have been reported2-8. The adducts of Urea and thiourea with Se4N3Cl have also been synthesized and investigated9,10. The metal complexes such as Mn(II), Fe(III), Co(II) & Ni(II) with Se4N3Br prepared, have been reported11-13. II. Experimental During the synthesis of Se4N414 and Se4N3Br (loc.cit.) Anal R. Grade doubly distilled chemicals were used. To prepare the complex of Se4N3Br with Co(II), Se4N3Br (0.5gm) and CoCl2 (0.5gm), in 1:1 ratio was mixed using DMF as solvent and refluxed for 6-8 hrs on a hot plate at the temperature of 150-1600C. A brownish black mass, formed, was separated after washing with DMF, alcohol and ether, and dried at 1100C. Its U.V. spectrum was recorded on Perkin-Elmer-Lambda-15 spectrophotometer in the range of 200-800 nm, while E.P.R. and X.R.D. spectra were graphed on Varian’s X-E-4 bands spectrometer and PW-1710 Diffractometer using Cu as a source of radiation ( = 1.5418 Å ) at room temperature. The complex was treated against S. aureus (gram +ve) and E.coli (gram ve) bacteria by using invitro technique and making 5 mg/ml test solution to check the inhibition of bacteria in presence of complex. III. Results and Discussion U.V. spectrum (Fig-1) consist five peaks. Out of which former band at 200nm having the absorbity 0.788 equivalent to 6.2ev energy is on account of charge transfer transition in the complex. The other band at 282.5 nm is due to transition of Se4N3 ring in the complex.

Fig. 1: U.V. spectrum of the Complex This view is upheld by the value of oscillator strength ‘f’ = 0.4866x10 -5 (Table-1,Column-3) for the spin allowed Laporte forbidden transition which is caused by the sharing of electrons i.e. covalent bonding. The remaining of three assignments at 570.0nm (17543.85 ), 690.0nm (14492.75 ) and 777.5nm (12861.73 ) are consequently for the following transitions15: 4 T1g(P)  4T1g(F) 4 A2g(F)  4T1g(F)

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T2g(F)  4T1g(F)

Suggesting the hexadentated coordinated bonding along with octahedral structure of the complex with 3d 7 configuration. Low value of band gape energy, Eg and high value of number of conducting electron, N c (Table1, Column-4&5) expounds the good conductivity of complex. The E.P.R. spectrum (fig.2) with hyperfine appearance possess many prominent peaks of low intensity. Out of which some peaks have been selected for the interpretation. For these peaks at different magnetic field the value gx, gy found, are less than two (Table-1 Column-7) indicating the presence of vacant ‘d’ energy shells to accepts electron pair from N-atom of Se4N3 ring to form coordinate linkage which is supported by the narrowness of the peaks caused by exchange of electron pairs. The value of gz more than two (free electrons),( Table-1 Column-8) infers the covalent linkage in the complex due to Se4N3 ring in the complex. The paramagnetism of the complex is supported by the low value of magnetic moment, and magnetic susceptibility (Table-1 Column-9&10). The values of No. of unpaired electrons, calculated from the values of , is found one, which is for the 3d7 configuration of Co2+ . During the reaction of CoCl2 with Se4N3Br, one electron 3d7 has been transferred to Se4N3 ring.

Fig. 2: E.P.R. spectrum of the Complex

Table-1: U.V. and E.P.R. Spectral Data of the Complex U.V. Spectral Data Band Assigned nm (cm1) 1 200.0 (50,000) 282.5 (35398.23) 570.0 (17543.85) 690.0 (14492.75) 777.5 (12861.73)

E.P.R. Spectral Data gx = gy

eff (BM)

A  103 (e.s.u.) 10

1837.614

0.3522

3.6794

1.8565

1.4365

2.8304

1937.614

0.5407

3.4895

1.7861

1.3297

1.1070

1.7401

1994.757

0.6399

3.3896

1.7541

1.2824

0.09144

0.1890

2.6270

2189.995

0.9399

3.0874

1.6807

1.1773

0.12791

0.1010

21.9924

2309.042

1.0979

2.9282

1.6572

1.1446

2504.280 2542.376 2809.042 2889.995 3156.661

1.3245 1.3647 1.6153 1.6823 1.8786

2.6999 2.6595 2.4070 2.3396 2.1419

1.6430 1.6430 1.6592 1.6683 1.7063

1.1251 1.1251 1.1474 1.1601 1.2133

Transition

f10-5

Eg (ev)

Me  105

Magnetic Field H (Gauss) 6

C.T.

2.33256

p  d 

0.48659

0.9055

T1g(P)4T1g(F)

0.09744

A2g(F)4T1g(F)

T2g(F) T1g(F)

From the X.R.D. (fig. 3), graphed, in 2 range (00-800) the value of sin2, miller indices, hkl and inter planar distance ‘d’ (Table-2) are determined. The values of ‘d’ resembles to theoretical ones. The axial distances a0 = 7.8427 Å, b0 = 7.8427 Å and c0 = 13.5839 Å axial angels === 900 are corresponding to a0 = b0  c0 and  =  =  = 900 for tetragonal array of the complex confirming the given (loc. cit.) structure. (fig-5).

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Govind Kumar Gupta et al., American International Journal of Research in Formal, Applied & Natural Sciences, 6(1), March-May 2014, pp. 51-54

 Angle 2 (o) 

Fig. 3: X.R.D. Pattern of the Complex Table-2: X-ray Diffraction pattern of complex G-3 S. No. 1 2 3 4 5 6 7 8 9 10 11 12 13

2(o)

Sin2 

1 11.08 16.96 23.03 29.17 32.15 40.77 43.03 51.20 55.37 61.03 64.41 67.62 71.16

2 0.00932 0.02174 0.03984 0.06341 0.07667 0.12133 0.13450 0.18669 0.21586 0.25782 0.28403 0.30962 0.33853

(h2 + k2 + l2)Qs

1 2 4 6 8 13 14 20 24 27 30 33 35

3 (0.00932) (0.01087) (0.00996) (0.01057) (0.00958) (0.00933) (0.00960) (0.00933) (0.00899) (0.00954) (0.00947) (0.00938) (0.00967)

hkl

d(Ao) Obs (theo)

dhkl (Å)

4 100 110 200 211 220 320 321 420 422 511 521 522 531

5 7.9853 (7.9785) 5.2278 (5.2233) 3.8618 (3.8568) 3.0614 (3.0578) 2.7841 (2.7809) 2.2132 (2.2108) 2.1020 (2.0998) 1.7842 (1.7826) 1.6592 (1.6576) 1.5182 (1.5167) 1.4465(1.4451) 1.3854 (1.3842) 1.3249 (1.3238)

6 7.8417 5.5449 3.9208 3.2013 2.7724 2,1748 2.0958 1.7534 1.6006 1.5091 1.4317 1.3650 1.3254

Qav = 0.009662 a0 = 7.8427Å, b 0 = 7.8427 Å, c 0 = 13.5839 Å and = = = 90 The complex was treated against the S. aureus (gram +ve) & E. coli (gram ve) bacteria (Fig. 4) by using invitro technique and found 14 mm and 10 mm inhibition respectively. The screening suggest that the complex may be used as medicine for the disease such as diarrhea, anemia, skin disease, pneumonia etc. caused by these bacteria.

S. Aureus (gm +ve) bacteria effect of complex E. Coli (gm ve) bacteria effect of complex G-3 – Co(II) G-3 – Co(II) Fig. 4: Zone inhibition of complexes against S. aureus and E. coli

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IV. Conclusions The complex, (Se4N3)4CoCl2 is a good conductor having paramagnetic character along with octahedral structure with tetragonal packing of molecule. The complex is also found effective against S. aureus (gram +ve) & E. coli (gram ve) bacteria. Acknowledgement The authors are thankful to the Directors, SAIF Punjab University, Chandigarh, SAIF, IIT Bombay and ACMS IIT Kanpur to provide the Instrumental facilities.

N3Se4 Se4N3

2Cl

Co2+

N3Se4 Se4N3

Fig. 5: Structure of Complex (Se4N3)4CoCl2 References [1]. [2]. [3]. [4]. [5]. [6]. [7]. [8]. [9]. [10]. [11]. [12]. [13]. [14]. [15].

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