A study on N-hydroxyamide ethoxycarbonylhydrazones

The structures and electronic properties of N-hydroxyamide ethoxycarbonylhy drazones were investigated by a quantum-chemical method AMI. The total ener gies, heats of formation, dipol moments, ionization potentials, proton affi nities 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 abi lity of these compounds with metal cations was also studied. The geometry a nd electronic properties of the complexes formed by N-hydroxyacetamide etho xycarbonylhydrazone with Ni2+ and Cu2+ were investigated using ZINDO/1 semi empirical method. Moreover, these complexes were synthesized and identified .