Synthesis, X-ray crystal structure, DFT calculation and catalytic activity of two new oxido-vanadium(V) complexes containing ONO tridentate Schiff bases

Two new oxido-vanadium(V) complexes, [VO(L1)(EtO)] (1) and [VO(L2)(2-BuO)] (2) [H2L1 = 2-{(5-chloro-2-hydroxyphenyl)iminomethyl}phenol and H2L2 = 4-bromo-2-{(2-hydroxy-5-methylphenyl] iminomethyl}phenol], have been prepared by the reaction of VO(acac)2 with the ONO tridentate salicylidene Schiff bases H2L1 and H2L2, and fully characterized by FT-IR, molar conductivity, elemental analyses, 1H NMR and electronic spectra. The structures of the complexes have also been determined by X-ray diffraction. Computational studies were performed at the B3LYP/6-311G(d,p) level. Furthermore, the catalytic activity of these compounds was investigated for a multicomponent reaction of cyclic enaminoketones, malononitrile and aromatic aldehydes.

Graphical abstractTwo new oxido-vanadium(V) complexes, [VO(L1)(EtO)] (1) and [VO(L2)(2-BuO)] (2), ([H2L1 = 2-{(5-chloro-2-hydroxyphenyl)iminomethyl}phenol and H2L2 = 4-bromo-2-{(2-hydroxy-5-methylphenyl] iminomethyl}phenol]) have been synthesized and fully characterized by prevalent spectroscopic methods. DFT calculations were carried out on the title complexes using B3LYP/6-311G(d,p). The catalytic activity of these complexes was investigated in the multicomponent reaction of cyclic enaminoketones, malononitrile and aromatic aldehydes.Figure optionsDownload full-size imageDownload as PowerPoint slide