Title
Synthesis and characterization of a new zinc(II) complex with tetradentate azo-thioether ligand: X-ray structure, DNA binding study and DFT calculation
Author
Apurba Sau Mondal, Ajoy Kumar Pramanik, Lakshman Patra, Chandan Kumar Manna, Tapan Kumar Mondal
Year
2017
Journal
Journal of Molecular Structure
Abstract
A new zinc(II) complex, [Zn(L)(H2O)](ClO4) (1) with azo-thioether containing NSNO donor ligand, 3-(2-(2-((pyridin-2-ylmethyl)thio)phenyl)hydrazono)pentane-2,4-dione (HL) is synthesized and characterized by several spectroscopic techniques. The distorted square based pyramidal (DSBP) geometry is confirmed by single crystal X-ray structure. The ability of the complex to bind with CT DNA is investigated by UV–vis method and the binding constant is found to be 4.16 × 104 M−1. Competitive binding study with ethidium bromide (EB) by fluorescence method suggests that the zinc(II) complex efficiently displaces EB from EB-DNA. The Stern-Volmer dynamic quenching constant, Ksv is found to be 1.2 × 104 M−1. Theoretical calculations by DFT and TDDFT/CPCM methods are used to interpret the electronic structure and UV–vis spectrum of the complex.
Instrument
J-815
Keywords
Circular dichroism, DNA binding, Coordination chemistry, Biochemistry