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

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.

Journal
Title
Journal of Photochemistry and Photobiology B: Biology
Publisher
Elsevier
Publisher Country
Netherlands
Indexing
Thomson Reuters
Impact Factor
3.035
Publication Type
Prtinted only
Volume
171
Year
2017
Pages
9-19