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Turkish Journal of Chemistry

DOI

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Abstract

The structures and electronic properties of N-hydroxyamide ethoxycarbonylhydrazones were investigated by a quantum-chemical method AMl. The total energies, heats of formation, dipol moments, ionization potentials, proton affinities and energies of frontier molecular orbitals (E_{HOMO} and E_{LUMO}) were calculated and discussed. The stabilities of the tautomeric forms and of E and Z isomers for these compounds were determined. The complex forming ability of these compounds with metal cations was also studied. The geometry and electronic properties of the complexes formed by N-hydroxyacetamide ethoxycarbonylhydrazone with Ni^{2+} and Cu^{2+} were investigated using ZINDO/1 semiempirical method. Moreover, these complexes were synthesized and identified.

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