Abstract:In this study, the structural and bonding characteristic of 1-(2,6-Dimethylphenylamino)propane-1,2-dione dioxime ligand and its nickel (II) complex were examined by means of quantum chemical computations. Primarily, comprehensive calculations were performed on these compounds with semi-empirical, Density-functional theory and Hartree-Fock methods by using different basis sets. The structural accuracy of ligand and complex were investigated by comparing the calculated values to the bond lengths and angles measu… Show more
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