Experimental and theoretical studies of Mn(II) and Co(II) metal complexes of a tridentate Schiff's base ligand and their biological activities

Abstract

We have used the condensation method to synthesize 2‐acetyl‐5‐methylsemicarbazone ligand. Manganese(II) and Cobalt(II) complexes having formula [ML2]X2 were synthesized where M = Mn(II) and Co(II), L = ligand, X = Cl−, CH3COO−, NO3−, ½SO42−. The characterization data suggests the octahedral geometry for all the synthesized complexes. Tridentate nature of the 2‐acetyl‐5‐methylsemicarbazone ligand was revealed by IR studies. Molar conductance analysis suggested the electrolytic nature of the complexes. The theoretical study includes geometrical optimization, HOMO‐LUMO energy gap, energetic parameters and dipole moment. These results also confirmed the tridentate nature of the ligand and the octahedral geometry of complexes. The molecular electrostatic potential (MEP) study suggested the reactive sites for an electrophilic or nucleophilic attack in the ligand. We tested the synthesized compounds for their antifungal and antibacterial action via well diffusion method and found that parent ligand after the coordination with the metal ion showed more effective inhibition against bacteria and fungi.