1 Ocak 2013 Dergi makalesi Açık Erişim

Gokce, Halil; Bahceli, Semiha

Citation Style Language JSON

{
  "DOI": "10.1016/j.saa.2013.04.112", 
  "abstract": "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.", 
  "author": [
    {
      "family": "Gokce", 
      "given": " Halil"
    }, 
    {
      "family": "Bahceli", 
      "given": " Semiha"
    }
  ], 
  "container_title": "SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY", 
  "id": "15047", 
  "issued": {
    "date-parts": [
      [
        2013, 
        1, 
        1
      ]
    ]
  }, 
  "page": "61-73", 
  "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", 
  "type": "article-journal", 
  "volume": "114"
}