부산대학교 도서관

To link to full-text access for this article, visit this link: http://dx.doi.org/10.1016/j.theochem.2007.05.023 Byline: R.I. Makhmutova (a), I.V. Vakulin (a), R.F. Talipov (a), E.M. Movsumzade (b), D.A. Chuvashov (a) Keywords: Aromatic Schiff's bases; Cobalt and nickel; Complexes formation; Enthalpy; Gibbs free energy; DFT calculation Abstract: 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. Author Affiliation: (a) Department of Chemistry, Bashkir State University, Ufa 450074, Russia (b) Department of General Chemistry, Ufa State Petroleum Technological University, Ufa 450074, Russia Article History: Received 29 March 2007; Revised 30 April 2007; Accepted 22 May 2007