Open AccessSynthesis, DFT and Bio-Potential Activities of Mn(II) and Hg(II) Complexes with Bidentate (E)-N′[(E)-3-Phenylallylidene]benzene-1,2-diamine
Author(s) -
R. Selvarani,
S. Balasubramaniyan,
K. Rajasekar,
M. Thairiyaraja,
R. Meenakshi
Publication year - 2021
Publication title -
asian journal of chemistry/asian journal of chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.145
H-Index - 34
eISSN - 0975-427X
pISSN - 0970-7077
DOI - 10.14233/ajchem.2021.23150
Subject(s) - chemistry , denticity , octahedral molecular geometry , schiff base , homo/lumo , ligand (biochemistry) , metal , carbon 13 nmr , proton nmr , molar conductivity , crystallography , inorganic chemistry , molecule , stereochemistry , organic chemistry , biochemistry , receptor
A new bidentate Schiff base (E)-N′[(E)-3-phenylallylidene]benzene-1,2-diamine derived from thecondensation of o-phenylenediamine and cinnamaldehyde and its Mn(II) and Hg(II) complexes weresynthesized and characterized by elemental analysis, molar conductance, magnetic moment, electronicspectra, IR, far-IR and NMR (1H & 13C) spectral studies. The elemental analysis and these metalproposed the metal:ligand stoichiometry and molecular formulae of the metal complexes. The molarconductance and electrochemical property indicates monomeric, neutral nature and redox propertiesof 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-ligandvibrations. The geometry, magnetic property and unsymmetrical nature of these metal complexescorroborated by NMR (1H & 13C) spectra. The DFT of Mn(II) complex studied and the structureoptimized by B3LYP/Lan L2DZ using Gaussian 09W. Quantum chemical calculations were done byMullikan population analysis, HOMO-LUMO and molecular electrostatic potential. The in vitrobiological screening effects of the investigated complexes were tested against some bacteria and fungusby agar-well diffusion method. The results indicated that Mn(II) and Hg(II) complexes exhibit potentiallyactive than the Schiff base which was further confirmed by pharmacokinetics study. The antioxidantactivity of Schiff base and its Mn(II) complex was examined by radical scavenging DPPH method.