A new N2O2 Schiff base ligand bis(5-Bromosalicylidene)-4-methylbenzene-1,2-diamine), [H2L] was prepared from the reaction of 4-methylbenzene-1,2-diamine with 5- bromosalicylaldehyde. From the direct reaction of ligand [H2L] with nickel(II) and palladium(II) salts in methanol and acetonitrile solutions the neutral [NiL] and [PdL] complexes were prepared. The products were characterized using elemental analyses, FT-IR, UV–Vis, 1H NMR spectroscopy techniques. The results indicate that all compounds are successfully synthesized. The crystal structure of the Pd(II) complex was also determined. X-ray crystal structure of [PdL] showed that the complex contains palladium(II) in a distorted square planar environment of N2O2 donors. DFT and TD-DFT calculations have been done using M06–2X and B3LYP levels with Def2-TZVP and ATZP basis sets. The quantum chemical calculations supported the experimental crystal structure of [PdL] complex. The proposed coordination geometry around the Ni atom in [NiL] complex is defined as slightly distorted square planar by DFT studies. NBO-CMO calculations have been performed to interpret electronic transitions.
Read full abstract