Dinuclear oxidovanadium(V) complexes incorporating N, N, O, O coordinating ligands: Synthesis, structure, spectral, DFT and TDDFT study

Three new dinuclear oxidovanadium(V) complexes have been synthesized using N, N, O, O coordinating ligands. The complexes are isolated and characterized by different spectroscopic techniques. X-ray structure of a representative complex has been determined. The electronic structure, absorption and CD spectra of the complexes were calculated applying DFT-TDDFT method. The chemical shift was also computed using GIAO-DFT calculation. The occupancies and composition of the natural bond orbitals (NBOs) for all the complexes were also calculated using DFT.