| dc.creator |
Bahceli, Semiha |
|
| dc.creator |
GÖKCE, HALİL |
|
| dc.date |
2013-10-01T00:00:00Z |
|
| dc.date.accessioned |
2021-12-03T11:20:13Z |
|
| dc.date.available |
2021-12-03T11:20:13Z |
|
| dc.identifier |
3909e021-c607-4d6b-96a4-91cf1a8ad897 |
|
| dc.identifier |
10.1016/j.saa.2013.04.112 |
|
| dc.identifier |
https://avesis.sdu.edu.tr/publication/details/3909e021-c607-4d6b-96a4-91cf1a8ad897/oai |
|
| dc.identifier.uri |
http://acikerisim.sdu.edu.tr/xmlui/handle/123456789/90943 |
|
| dc.description |
In this study the elemental analysis results, molecular geometries, vibrational and electronic absorption spectra of free 2,2'-dithiodipyridine(C10H8N2S2), (or DTDP) (with synonym, 2,2'-dipyridyl disulfide) and M(C10H8N2S2)Cl-2 (M = Co, Cu and Zn) complexes have been reported. Vibrational wavenumbers of free DTDP and its metal halide complexes have been calculated by using DFT/B3LYP calculation method with 6-31++G(d,p) and Lanl2DZ basis sets, respectively, in the ground state, for the first time. The calculated fundamental vibrational frequencies are in a good agreement with experimental data. The HOMO, LUMO and MEP analyses of all compounds are performed by DFT method. (C) 2013 Published by Elsevier B.V. |
|
| dc.language |
eng |
|
| dc.rights |
info:eu-repo/semantics/closedAccess |
|
| dc.title |
FT-IR, Micro-Raman and UV-vis spectroscopic and quantum chemical investigations of free 2,2 '-dithiodipyridine and its metal (Co, Cu and Zn) halide complexes |
|
| dc.type |
info:eu-repo/semantics/article |
|