P. Manojkumar, N. Venkatesh, G. Suresh
Oct 1, 2020
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Influential Citations
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Chemical Data Collections
Abstract
Abstract New charge transfer complexes of 2-Ethyl -6-methylaniline as a donor with π-acceptors 2, 3-dichloro-5, 6-dicyano-p-benzoquinone (DDQ) and 2, 3, 5, 6-tetrachloro-p-benzoquinone (CHL) have been studied spectrophotometrically in acetonitrile solvent at room temperature. The molar composition of the both CT complexes were found to be 1:1 and the stability constant (KCT) and molar extinction coefficient (Ɛ) were estimated by Benesi-Hildebrand equation. Other physical parameters such as energy (ECT), standard free energy (ΔG0), oscillator strength (f), transition dipole moment (μEN), resonance energy (RN), dissociation energy (W) and ionization potential (ID) were also estimated. In addition, the presence of CT complexes was confirmed by IR spectroscopy and the complexes were screened for their pharmacology of DNA binding studies. It was found that the CT complexes could contact with DNA through intercalation and the DFT investigation evaluated the bond lengths, bond angles, Mulliken atomic charges, MEP maps and HOMO-LUMO of CT complexes.