1 Ocak 2013 Dergi makalesi Açık Erişim

Gokce, Halil; Bahceli, Semiha

Dublin Core

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  <dc:creator>Gokce, Halil</dc:creator>
  <dc:creator>Bahceli, Semiha</dc:creator>
  <dc:date>2013-01-01</dc:date>
  <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:description>
  <dc:identifier>https://aperta.ulakbim.gov.trrecord/15047</dc:identifier>
  <dc:identifier>oai:zenodo.org:15047</dc:identifier>
  <dc:rights>info:eu-repo/semantics/openAccess</dc:rights>
  <dc:rights>http://www.opendefinition.org/licenses/cc-by</dc:rights>
  <dc:source>SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY 114 61-73</dc:source>
  <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:title>
  <dc:type>info:eu-repo/semantics/article</dc:type>
  <dc:type>publication-article</dc:type>
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