Conjoint experimental–theoretical evaluation of pyrone-salicylic acid hydrazide copper(II) Schiff base complexes: their synthesis, SOD and electrochemical fronts

ABSTRACTSuperoxide dismutase in relation to Alzheimer's disease can be thought as the basis for the development of copper coordination complexes designed as radiopharmaceuticals to assist in the diagnosis/treatment of this disorder. In such a fascination, a systematic study of a series of three Cu(II)-N-dehydroacetic acid-salicylic acid hydrazide (H2dha-shz) Schiff base complexes, based on hyphenated experimental and theoretical approach, having the general composition formula as [Cu(dha-sahz)(L)], where L is H2O, imidazole (imdH)] or benzimidazole (bimdH) is presented. Theoretical calculations have been performed for one of the representative complexes containing imidazole as a co-ligand. B3LYP/LANL2DZ combination was used to carry out the required calculations. From the study, a suitable square planar geometry has been found for the complexes under investigation. In addition to the density functional theory (DFT)-experimental formulation of target metallic systems, superoxide dismutation and electroacti...