Synthesis, characterization and DFT investigation of new metal complexes of Ni(II), Mn(II) and VO(IV) containing N,O-donor Schiff base ligand

• Three new Schiff base complexes have been synthesized and characterized. TG DTG techniques were used to study the thermal behavior of these complexes. Redox systems studied using cyclic voltammetry. The theoretical structural analysis was performed. Nonlinear optical effects molecular electrostatic potential determined. In this work, a bidentate ligand ( HL ) containing N O as donor heteroatoms has synthesize series stable metal general composition M(L) 2 with M = Mn, Ni VO. This obtained from condensation 2-methoxybenzylamine on 2,3-dihydroxybenzaldehyde in methanolic solutions which its by mixing corresponding acetate salt 1:2 molar ratio. resulting three characterized different analytical like FT-IR, UV-Vis, mass spectroscopy, thermogravimetry voltammetry, identify their structures redox/electrochemical properties. Moreover, effect electronic properties reactivity also Density Functional Theory (DFT). optimized hybrid B3LYP/6–31 G method. spectroscopic data suggest that is bonded through phenolic-like oxygen imine-type nitrogen atoms. Electronic vibrational absorption spectra nickel complex found be square-planar geometry while square-pyramidal octahedral geometries proposed for VO(IV) Mn(II) complexes, respectively. thermogravimetric analyses confirmed presence water molecules decomposition led formation oxides latest residues. voltammogram Ni(II) suggests existence quasi-reversible redox system DMSO solution.