A copper(II) complex with a thioether and ether containing azophenol ligand: Synthesis, spectra, X-ray structure and DFT computations

A new ONSO donor azophenol ligand (HL) having thioether-S and ether-O atoms and its copper(II) complex have been synthesized and characterized. The hydrazoketo and azoenol equilibrium of the ligand has been studied by a theoretical study. The structure of the copper(II) complex, having the formula [Cu(L)(H2O)](ClO4), has been confirmed by a single crystal X-ray study. DFT calculations have been carried out to interpret the electronic structures and spectral properties of HL and its Cu(II) complex.231