Synthesis, characterization, crystal structure, and DFT studies of a cis dioxo -vanadium(V) complex containing a tridentate (NNO) Schiff base ligand

Abstract

A new vanadium(V) Schiff base complex, [NH(CH2CH3)3][VO2(L)], L = 1,2-dicyano-2-(5-bromo-2-oxidobenzylidene)amino) vinyl)amide has been synthesized from the reaction of a VOSO4·5H2O with the Schiff base ligand in propanol. The ligand and its V(V) complex have then been characterized using elemental analysis, FT-IR, 1H NMR, 13C NMR and UV/Vis spectroscopy techniques. The crystal structure of the complex has been determined by single-crystal X-ray crystallography. The vanadium atom shows a distorted square pyramidal coordination geometry, with the donor atoms (NNO) of the Schiff base ligand and one of the oxo groups occupying the basal coordination sites, while the other oxo group occupies the apical position. For a better comprehension, computational studies were performed using DFT calculations.