T. Jagadish, A. Anil kumar, D. Anitha Rangasree, Ch. Pradeep kumar, J. Pragathi, Ch. Rakesh, V. Mahipal
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Investigating Charge Transfer Dynamics: DNA Binding and DFT/PCM Analysis of 4-DMAP and Chloranil Interactions
The DNA binding ability of the organic charge transfer complex formed between 4-dimethylaminopyridine and chloranil in methanol at room temperature was studied using electron absorption spectroscopy, revealing a strong intercalative binding mechanism with an intrinsic binding constant (Kb) of 5.6 × 106 M–1. This indicates a significant affinity for intercalating between DNA base pairs. The complex, confirmed to have a 1 : 1 stoichiometry through both jobs and photometric methods, demonstrated high stability. Various spectroscopic techniques, including 1H NMR, FT-IR, P-XRD, and SEM-EDX, supported the charge transfer. Additionally, DFT calculations [CAM-B3LYP/6-31G(d,p)] estimated band gap energy of 2.21 eV, aligning well with experimental findings.
期刊介绍：
Russian Journal of General Chemistry is a journal that covers many problems that are of general interest to the whole community of chemists. The journal is the successor to Russia’s first chemical journal, Zhurnal Russkogo Khimicheskogo Obshchestva (Journal of the Russian Chemical Society ) founded in 1869 to cover all aspects of chemistry. Now the journal is focused on the interdisciplinary areas of chemistry (organometallics, organometalloids, organoinorganic complexes, mechanochemistry, nanochemistry, etc.), new achievements and long-term results in the field. The journal publishes reviews, current scientific papers, letters to the editor, and discussion papers.
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