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New isomeric Cu(NO 2 -phen) 2 Br]Br complexes: Crystal structure, Hirschfeld surface, physicochemical, solvatochromism, thermal, computational and DNA-binding analysis

Authors :
Malak Daqqa
Anas Al Ali
Tareq M. A. Al-Shboul
Fuad Al-Rimawi
Taghreed M. A. Jazzazi
Taher S. Ababneh
Yahia N. Mabkhot
Firas F. Awwadi
Taibi Ben Hadda
Ismail Warad
Source :
Journal of Photochemistry and Photobiology B: Biology. 171:9-19
Publication Year :
2017
Publisher :
Elsevier BV, 2017.

Abstract

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.

Details

ISSN :
10111344
Volume :
171
Database :
OpenAIRE
Journal :
Journal of Photochemistry and Photobiology B: Biology
Accession number :
edsair.doi...........76c29d55971e0550f103f1d4fed06fc0