Water soluble mono-cationic copper(II) complex of the general formula [Cu(NO₂-phen)₂Br]Br, (NO₂-phen = 5-nitro-1.10-phenantholine) was prepared in good yield under ultrasonic irradiation. The desired complex was isolated as a bromide salt and identified by MS, EA, UV–Vis., TG/DTA, FT-IR and XRD. The single-crystal X-ray diffraction and Hirschfield analysis revealed a square pyramidal distorted geometry around the Cu(II) center. The geometry of the [Cu(NO₂-phen)₂Br]⁺ complex was fully optimized with ab-initio methods and (DFT/B3LYP) density functional theory, then structural parameters were compared to the XRD data. The solvatochromism of [Cu(NO₂-phen)₂Br]Br complex was investigated in several polar solvents. Absorption and viscosity titration studies concluded that the [Cu(NO₂-phen)₂Br]Br complex is a very good CT-DNA binder.

Title

New isomeric Cu(NO2-phen)2Br]Br complexes: Crystal structure, Hirschfeld surface, physicochemical, solvatochromism, thermal, computational and DNA-binding analysis

Publisher

Journal of Photochemistry & Photobiology, B: Biology

Publisher Country

Netherlands

Publication Type

Both (Printed and Online)

Volume

171

Year

2017

Pages

9-19