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

Publication date: 15 July 2018
Source:Journal of Molecular Structure, Volume 1164
Author(s): Apurba Sau Mondal, Mahendra Sekhar Jana, Chandan Kumar Manna, Rahul Naskar, Tapan Kumar Mondal
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 × 10⁴ 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, Ksv is found to be 2.6 × 10⁴ M⁻¹. DFT and TDDFT calculations were carried out to interpret the electronic structure and electronic spectra of the complex.

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