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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
- 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.
- Subjects :
- Radiation
Radiological and Ultrasound Technology
010405 organic chemistry
Solvatochromism
Biophysics
chemistry.chemical_element
Crystal structure
010402 general chemistry
01 natural sciences
Copper
Square pyramidal molecular geometry
0104 chemical sciences
Crystallography
chemistry
Computational chemistry
Yield (chemistry)
Radiology, Nuclear Medicine and imaging
Titration
Density functional theory
Absorption (chemistry)
Subjects
Details
- ISSN :
- 10111344
- Volume :
- 171
- Database :
- OpenAIRE
- Journal :
- Journal of Photochemistry and Photobiology B: Biology
- Accession number :
- edsair.doi...........76c29d55971e0550f103f1d4fed06fc0