Synthesis, DFT and Bio-Potential Activities of Mn(II) and Hg(II) Complexes with Bidentate (E)-N′[(E)-3-Phenylallylidene]benzene-1,2-diamine

Abstract

A new bidentate Schiff base (E)-N′[(E)-3-phenylallylidene]benzene-1,2-diamine derived from the condensation of o-phenylenediamine and cinnamaldehyde and its Mn(II) and Hg(II) complexes were synthesized and characterized by elemental analysis, molar conductance, magnetic moment, electronic spectra, IR, far-IR and NMR (1H & 13C) spectral studies. The elemental analysis and these metal proposed the metal:ligand stoichiometry and molecular formulae of the metal complexes. The molar conductance and electrochemical property indicates monomeric, neutral nature and redox properties of the metal complexes. The UV-visible spectral study supports the octahedral geometry for Mn(II) complex and square planar geometry for Hg(II) complex and further confirmed by magnetic moment. IR spectral data examined the coordination mode but far-IR is useful to identify the metal-ligand vibrations. The geometry, magnetic property and unsymmetrical nature of these metal complexes corroborated by NMR (1H & 13C) spectra. The DFT of Mn(II) complex studied and the structure optimized by B3LYP/Lan L2DZ using Gaussian 09W. Quantum chemical calculations were done by Mullikan population analysis, HOMO-LUMO and molecular electrostatic potential. The in vitro biological screening effects of the investigated complexes were tested against some bacteria and fungus by agar-well diffusion method. The results indicated that Mn(II) and Hg(II) complexes exhibit potentially active than the Schiff base which was further confirmed by pharmacokinetics study. The antioxidant activity of Schiff base and its Mn(II) complex was examined by radical scavenging DPPH method.