A study of cobalt and nickel complexes formation with aromatic Schiff’s bases

Structural and thermochemical parameters of complexes formed between Ni(II) and Co(II) and aminomethyl imino-substituted phenols including salen derivatives were investigated at the UB3LYP/6-31G(d) level of theory under gas-phase conditions. It has been shown, that in the case of all complexes studi...

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Published inJournal of molecular structure. Theochem Vol. 819; no. 1; pp. 21 - 25
Main Authors Makhmutova, R.I., Vakulin, I.V., Talipov, R.F., Movsumzade, E.M., Chuvashov, D.A.
Format Journal Article
LanguageEnglish
Published Elsevier B.V 01.10.2007
Subjects
Aromatic Schiff’s bases
Cobalt and nickel
Complexes formation
DFT calculation
Enthalpy
Gibbs free energy
DFT calculation
Gibbs free energy
Aromatic Schiff’s bases
Complexes formation
Cobalt and nickel
Enthalpy
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Summary:Structural and thermochemical parameters of complexes formed between Ni(II) and Co(II) and aminomethyl imino-substituted phenols including salen derivatives were investigated at the UB3LYP/6-31G(d) level of theory under gas-phase conditions. It has been shown, that in the case of all complexes studied as potential oxygen-transfer catalysts the ions of metal are tetra coordinated and that complexes of nickel are steadier than of cobalt. It was found that the most stable chelate complexes are produced by the formation of bond between metal and nitrogen atoms of imino groups.
ISSN:0166-1280
1872-7999
DOI:10.1016/j.theochem.2007.05.023