Synthesis, characterization, and biological application of some transition metal complexes of N'-(benzo[d][1,3]dioxol-5-ylmethylene)isonicotinohydrazide

Abstract

Various spectrum techniques were used to analyze the newly synthesized Schiff's base derivative, N'-(benzo[d][1,3]dioxol-5-ylmethylene)isonicotinohydrazide. The reaction with Cu(II), Co(II), Ni(II) and Zn(II) chloride produced complexes of 1:1 (M:L) stoichiometry. The spectral data, FTIR and NMR, disclosed that the INP chelated the central metal in neutral bidentate manner via the carbonyl oxygen and azomethine nitrogen atoms. The octahedral configuration of the complexes has been elucidated by electronic, magnetic, and ESR measurements. The powder XRD patterns of metal complexes designated that Cu(II) has a monoclinic crystal system, whereas Co(II) and Zn(II) have orthorhombic crystal systems and Ni(II) has a triclinic crystal system. The DFT quantum chemical simulation validated the suggested structures and was used to calculate HOMO-LUMO energies. Furthermore, the NLO properties, polarizability, and hyperpolarizability of the INP and metal complexes were calculated, indicating that metal chelation improved the than the ligand. The isolated compounds biological activity, antioxidant and antitumor, were explored and results disclosed that the metal complexes exhibited enhanced activity than ligand.