Synthesis and spectrophotometric studies of CT complex between 1,2-dimethylimidazole and picric acid in different polar solvents: exploring antimicrobial activities and molecular (DNA) docking

The charge transfer complex (CT complex) formed in ethanol with 1,2-dimethylimidazole (DMI, donor) and picric acid (PA,pi- acceptor) at room temperature (RT) and spectrophotometric studies have been performed in various solvents. CT complex was characterised using different analysis like -H-1 NMR, FTIR spectra and UV-vis spectra which designates that CT interaction is connected to proton relocation to DMI from PA followed by the formation of N+-H center dot center dot center dot O(-)type bonding. Spectrophotometric data helps in calculating various physical parameters (such as K-CT, epsilon(CT), Delta G(o), I-D, R-N, E-CT, mu(EN)and f) were also obtained through Benesi-Hildebrand equation. From these parameters it was observed that [(DMIH)(+)(PA)(-)] formation dependents on type of solvent used. 1:1 stoichiometry of [(DMIH)(+)(PA)(-)] was found by a straight-line method. Antimicrobial activity of the CT complex was demonstrated. Molecular docking study give us the information of binding of [(DMIH)(+)(PA)(-)] with B-DNA which has substantial application for drug designing.

Automated summary

This study investigates the charge transfer complex formed in ethanol between 1,2-dimethylimidazole and picric acid, characterizing the CT complex through various analysis and evaluating its physical parameters, finding its formation dependent on the type of solvent used. Additionally, the CT complex exhibits antimicrobial activity and shows potential applications in drug design.