Exploring the charge transfer dynamics of hydrogen bonded crystals of 2-methyl-8-quinolinol and chloranilic acid: synthesis, spectrophotometric, single-crystal, DFT/PCM analysis, antimicrobial, and DNA binding studies
Palnati Manojkumar, no-firstname Harilal, Varukolu Mahipal, Gangadhari Suresh, Venkatesh Nampally, Ramesh Macha, T. Parthasarathy
Abstract
against the growth of bacteria and fungi, and the results indicated remarkable activity for the HB CT complex compared to the standard drugs, ampicillin and clindamycin. Hence, the abovementioned biological results of the synthesized HB CT complex show it could be used as a pharmaceutical drug in the future. Computational analysis was carried out by DFT studies using the B3LYP function with a basis set of 6-31G(d,p) in the gas phase and PCM analysis. The computational studies further supported the experimental results by confirming the charge and proton transfer complex.
Topics & Concepts
Chloranilic acidChemistryCharge-transfer complexStability constants of complexesNuclear chemistryAnalytical Chemistry (journal)Physical chemistryCrystallographyPhotochemistryOrganic chemistryAqueous solutionNonlinear Optical Materials ResearchCrystallography and molecular interactionsCrystal structures of chemical compounds