Synthesis of a zinc(II) complex with hexadentate N4S2 donor thioether ligand: X-ray structure, DNA binding study and DFT computation

摘要

A new zinc(II) complex, [Zn(L)](ClO4) with hexadentate N4S2 donor azo-thioether ligand (HL) was synthesized and characterized by several spectroscopic techniques. The structure was confirmed by single crystal X-ray analysis. The interaction of the complex with CT DNA was investigated by UV vis method and binding constant is found to be 6.6 x 10(4)M(-1). Competitive binding titration with ethidium bromide (EB) by fluorescence titration method reveals that the complex efficiently displaces EB from EB-DNA system and the Stern-Volmer dynamic quenching constant, Ks, is found to be 2.6 x 10(4)M(-1). DFT and TDDFT calculations were carried out to interpret the electronic structure and electronic spectra of the complex. (C) 2018 Elsevier B.V. All rights reserved.