Synthesis, characterisation, XRD, molecular modelling and potential antibacterial studies of Co(II), Ni(II), Cu(II), Zn(II), Cd(II) and Hg(II) complexes with bidentate azodye ligand

Abstract

Six monomeric complexes of Co(II), Ni(II), Cu(II), Zn(II), Cd(II) and Hg(II) with one O N donor bidentate azodye ligand, 3 – (p-tolylazo) – 4 – hydroxyl – 5 – methoxybenzaldehyde (LH) (TAHMB) have been prepared. The complexes have been characterised by analytical, conductance, magnetic susceptibility, IR, electronic spectra, ESR, NMR, X-ray diffraction (Powder pattern) spectra and molecular modelling studies. The Co (II) and Ni (II) complexes are found to be octahedral, Cu(II) complex is distorted octahedral and a tetrahedral stereochemistry has been assigned to Zn(II), Cd(II) and Hg(II) complexes. The energy optimised structures Figs. 3–5 are proposed using the semi empirical ZINDO/1 quantum mechanical calculations. The Ni(II) complex is found to possess an orthorhombic crystal system. The potential antibacterial studies of the ligand and some metal complexes with gram positive and gram negative bacteria have given encouraging results.

Keywords

• Azodye complexes
• Antibacterial studies
• Molecular modelling