Synthesis, Spectroscopic and Quantum Chemical Studies of a Novel Cis-dioxomolybdenum(VI) Thiosemicarbazonato Complex


İlhan Ceylan B. , Yılmaz A., Bölükbaşı Yalçınkaya O., Ülküseven B.

International Journal Of Chemical Engineering and Applications, cilt.7, ss.195-198, 2016 (Diğer Kurumların Hakemli Dergileri)

  • Cilt numarası: 7
  • Basım Tarihi: 2016
  • Dergi Adı: International Journal Of Chemical Engineering and Applications
  • Sayfa Sayıları: ss.195-198

Özet

Abstract—The synthesis and characterization of dioxomolybdenum(VI) chelate complexes with 5-chloro-4methyl-2-hydroxybenzophenone S-methyl-4phenylthiosemicarbazone (L) in the form of [MoO2(L)D] where D is the nitrogen donor ligand, namely pyridine in this complex system. The mixed-ligand complexes were characterized by using elemental analysis, UV-Vis, Mid-IR and 1H-NMR spectroscopic techniques. In addition, optimized geometries and vibrational wavenumbers of the complexes were calculated DFT/B3LYP functional with LANL2DZ basis set. The assignment of the vibrational modes was performed based on the total energy distribution (TED).