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Journal of the Korean Chemical Society (JKCS)

ISSN 1017-2548(Print)
ISSN 2234-8530(Online)
Volume 57, Number 1
JKCSEZ 57(1)
February 20, 2013 

 
Title
Vanadyl Binary Schiff Base Complexes Containing N2O2 Coordination Sphere: Synthesis, Ab Initio Calculations and Thermodynamic Properties
Author
Mozaffar Asadi*, Mohammad Hadi Ghatee, Susan Torabi, Khosro Mohammadi, Fatemeh Moosavi
Keywords
Oxovanadium (IV), Formation constants, Thermodynamics, Ab initio calculations
Abstract
Some vanadyl complexes were synthesized by treating a methanolic solution of the appropriate Schiff base ligand and one equivalent of VO(SO4)2 to yield [(VOL21-14)](L=Salicylaldehyde's derivatives, Schemes 1, 2). These oxovanadium (IV) complexes were characterized based on their FT-IR, UV-Vis spectroscopy and elemental analysis. The IR spectra suggest that coordination takes place through azomethine nitrogen and phenolate oxygen. In addition, the formation constants of the oxovanadium (IV) binary complexes were determined in methanolic medium. The ab initio calculations were also carried out to determine the structural and the geometrical properties of one of the complexes and its calculated vibrational frequencies were investigated.
Page
63 - 72
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