Hema, M. K. and Karthik, C. S. and Warad, Ismail and Lokanath, N. K. and Zarrouk, Abdelkader and Kumara, Karthik and Pampa, K. J. and Mallu, P. (2018) Regular square planer bis-(4,4,4-trifluoro-1-(thiophen-2-yl)butane-1,3-dione)/copper(II) complex: Trans/cis-DFT isomerization, crystal structure, thermal, solvatochromism, hirshfeld surface and DNA-binding analysis. Journal of Molecular Structure, 1157. 69 - 77. ISSN 0022-2860
Full text not available from this repository. (Request a copy)Abstract
Trans-Cu(O∩O)2 complex, O∩O = 4,4,4-trifluoro-1-(thiophen-2-yl)butane-1,3-dione was reported with high potential toward CT-DNA binder. The solved XRD-structure of complex indicated a perfect regular square-planer geometry around the Cu(II) center. The trans/cis-DFT-isomerization calculation supported the XRD seen in reflecting the trans-isomer as the kinetic-favor isomer. The desired complex structure was also characterized by conductivity measurement, CHN-elemental analyses, MS, EDX, SEM, UV–Vis., FT-IR, HAS and TG/DTG. The Solvatochromism behavior of the complex was evaluated using four different polar solvents. MPE and Hirshfeld surface analysis (HSA) come to an agreement that fluoride and thiophene protons atoms are with suitable electro-potential environment to form non-classical H-bonds of type CThH⋯F. The DNA-binding properties were investigated by viscosity tests and spectrometric titrations, the results revealed the complex as strong calf-thymus DNA binder. High intrinsic-binding constants value ∼1.8 × 105 was collected.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | Cu(II) complex, Thermal, DFT, XRD, Solvatochromism, DNA-Binding |
| Subjects: | D Physical Science > Physics |
| Divisions: | Department of > Physics |
| Depositing User: | Manjula P Library Assistant |
| Date Deposited: | 10 Jul 2019 07:37 |
| Last Modified: | 10 Jul 2019 07:37 |
| URI: | http://eprints.uni-mysore.ac.in/id/eprint/5058 |
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