Physical Chemistry Quantum-Chemical Study of the Solvent Effect on the Formation Ability of Complexes Acetamide and N,N-Dimethylacetamide with Metals

ABSTRACT. The structural, energy and electronic characteristics of acetamide and N,N-dimethylacetamide in the form of gas as well as in solvents has been calculated by means of the quantum-chemical semiempirical AM1 method. It is shown that to estimate the effect on the formation ability of complex with metals individual analysis of structural, energetic and electronic characteristics in the state of gas and in solvents is necessary. The results obtained are used in estimating the effect of polarity of solvent. © 2011 Bull. Georg. Natl. Acad. Sci. Key words: acetamide, dimethylacetamide, solvent effect, quantum-chemical calculation. Solvents have an effect on the formation ability of ligand complexes with metals [1]. For the purpose of quan-titative description of the effect of solvent on the ability of formation of complexes acetamide with metals (1), dimethylacetamide (2) structural, energetic and electronic characteristics in the state of gas and in solvents have been calculated by means of the quantum-chemical semiempirical AM1 method [2]. The calculation results are given in Tables 1-3. During transition from gas condi