Synthesis, characterization, density functional theory (DFT) calculation and antibacterial activities of five-coordinate complexes of some first-row transition metals containing a benzoyl thiourea derivative

Abstract

Using elemental analysis, Fourier transform infrared (FTIR) and UV-visible spectroscopies, as well as conductivity measurements, synthesis of 5 first-row transition metal complexes, including [M(L')(H2O)2] (M=Mn (C1), Fe (C2), Co (C3), Ni (C4), Cu (C5)) relevant to a benzoyl thiourea ligand, which was derived by condensing 2-chlorobenzoyl-isothiocyanate with 2,6-diaminopyridine, to produce 1,1'-(pyridine-2,6-diyl)bis(3-(2-chlorobenzoyl) thiourea) (L) was conducted. The structures proposed for the five complexes were confirmed through the application of conformational analysis and geometry optimization. These compounds were studied in vitro in terms of antibacterial properties against the standard gram-positive and gram-negative bacterial strains, and their superior antibacterial activities compared to those of the new thiourea derivative were proven through the experiments.