Metal-organic hybrids based on [VO2(L)]− tecton with cations of imidazole and its derivative: Synthesis, single-crystal structures and molecular docking studies

Abstract

New vanadium Schiff base complexes [VO2(L)]ImH 1 and [VO2(L)]m-ImH 2 (where L = (Z)-N'-(2-hydroxy-3-methoxybenzylidene)acetohydrazide, ImH = Imidazole and m-ImH = methylimidazole) were prepared. These were characterized using various techniques and structures were determined using single-crystal X-ray diffraction analysis. In these complexes, the three-dimensional structures are assembled via the columbic interactions between [VO2(L)]− anions and imidazolium ions supported through charge-assisted H-bonding between protonated imidazolium NH and CH of L2−. Hirshfeld surface analysis was also performed to investigate the mode of non-covalent interactions. Electrochemical measurements were carried out to explore the redox properties of complexes using cyclic voltammetry and differential pulse voltammetry. Computational studies have been carried out to verify the molecular structures of the complexes. Global reactivity parameters were also derived. The molecular interactions in complexes with the α-amylase and α-glucosidase proteins with a co-crystallized ligand were investigated using in silico docking.