Binuclear metal complexes of a symmetric polydentate donor hydrazone: synthesis, spectral characterization, DNP DFT computational and biological studies

Abstract

Co(II), Ni(II)and Cu(II) complexes of a new chelate namely 2,2'-((9S,10S,11R,12R)-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarbonyl)bis(N-phenylhydrazine-1-carboxamide) (H6EPH) were synthesized and were characterized by using analytical and spectral techniques suggesting tetrahedral geometry for Ni(II) and Cu(II) complexes and an octahedral for Co(II) complex. The ESR spectral data showed one broad band with g|| > 2.0036 indicating the axial symmetry with the unpaired electron residing in the dx2-y2 orbital with appreciable covalent character of the metal-ligand bond. The molecular modeling a using DFT method was drawn and the bond lengths, bond angles, chemical reactivity and energy components (kcal/mol) for all the title compounds were evaluated. Also, all compounds were examined for DNA cleavage ability and antioxidant using superoxide dismutase like- activity.