PM3 semi-empirical IR spectra simulations for metal complexes of schiff bases of sulfa drugs


Topacli C., Topacli A.

JOURNAL OF MOLECULAR STRUCTURE, cilt.654, ss.131-137, 2003 (SCI İndekslerine Giren Dergi) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 654
  • Basım Tarihi: 2003
  • Doi Numarası: 10.1016/s0022-2860(03)00202-3
  • Dergi Adı: JOURNAL OF MOLECULAR STRUCTURE
  • Sayfa Sayıları: ss.131-137

Özet

The molecular structures and infrared spectra of Co, Ni, Cu and Zn complexes of two schiff base ligands, viz N-(o-vanillinidene)sulfanilamide (oVSaH) and N-(o-vanillinidene)sulfamerazine (oVSmrzH) are studied in detail by PM3 method. It has been shown that the proposed structures for the compounds derived from microanalytical, magnetic and various spectral data were consistent with the IR spectra simulated by PM3 method. Coordination effects on nu(C=N) and nu(C-O) modes in the schiff base ligands are in close agreement with the observed results. (C) 2003 Elsevier Science B.V. All rights reserved.