Abstract
[Co(FBZ)(2)(H2O)]center dot 2NO(3)center dot 0.5H(2)O (1), [Ni(FBZ)(2)X-2]center dot zH(2)O (X = Cl-, z = 0.5 (2) and X = CH3COO-, z = 1 (3)) and [Cu(FBZ)(2)(H2O) (NO3)] center dot NO3 -1.5H(2)O (4) (FBZ = methyl-5-(Phenylthio) benzimidazole-2-carbamate; Fenbendazole) complexes were synthesized and characterized by elemental analysis, thermal, IR, EPR, UV Vis, magnetic and conductance measurements. Geometry optimization, molecular electrostatic potential maps and natural bond orbital analysis were carried out at DFT/B3LYP/6-31G* level of theory. FBZ behaves as a neutral bidentate ligand via the pyridine-type nitrogen of the benzimidazole moiety and the carbamate group. Three-step ionization with pK(a) values of 338, 4.06 and 10.07 were reported for FBZ. The coordination of FBZ to the metal ions led to an increase in the antibacterial activity against the tested Staphylococcus aureus and Escherichia coli bacteria. (C) 2016 Elsevier B.V. All rights reserved.