Synthesis, Spectroscopic, and DFT Studies of Vanadium (III) Hydroxamate Complex with Potential Biological Applications

Abstract

A new vanadium (III) hydroxamate complex of composition V(4- NO2C6H4CH=CHCONHO)3 has been synthesized by reaction of VCl3 with potassium salt of 4-nitrocinnamohydroxamate (4-NO2C6H4CH=CHCONHO) in 1:3 molar ratio in dry methanol solvent. The newly synthesized complex is characterized by elemental analysis, molar conductivity, magnetic moment measurements and IR, UV-Vis spectral studies and mass spectrometry. DFT calculations were carried out by using Orca 4.2.1 program and the negative values of the energies of EHOMO and ELUMO for the V(III) complex confirm its stability. A distorted-octahedral geometry around vanadium center has been suggested for complex based upon physicochemical, spectroscopic and DFT studies, involving bonding through hydroxylamine and carbonyl oxygens (O O coordination). The cyclic voltammogram of the complex shows single anodic and cathodic peak. The TGA/DTA curve indicates the single step decomposion of complex. The biological potential of the ligand and complex have been tested by in vitro antimicrobial studies and cytotoxicity assay. Antimicrobial activity of complex has been found increased as compare to precursor and ligand. The results of cytotoxicity reveal the complex less toxic as compared to standard drug simvastatin.