Research Information System
TURKISH JOURNAL OF CHEMISTRY, vol.24, no.1, pp.1-8, 2000 (SCI-Expanded)
The structures and electronic properties of N-hydroxyamide ethoxycarbonylhydrazones were investigated by a quantum-chemical method AMI. 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 Ni2+ and Cu2+ were investigated using ZINDO/1 semiempirical method. Moreover, these complexes were synthesized and identified.