The effect of polarity and hydrogen bonding on the electronic and vibrational structure of the salicylate anion in acetonitrile and water: implicit and explicit solvation approaches
Siddharth Mall Bishen, Meena Adhikari, Sandeep Pokharia, Hirdyesh Mishra
Abstract
This study uses computational models to explore how solvent polarity and hydrogen bonding affect sodium salicylate anion in acetonitrile and water to investigate their impact on enol–keto stabilization and ESIPT fluorescence quenching.
Topics & Concepts
SolvationAcetonitrilePolarity (international relations)Hydrogen bondIonChemistrySolvent polarityComputational chemistrySolventMoleculeOrganic chemistryCellBiochemistryPhotochemistry and Electron Transfer StudiesSpectroscopy and Quantum Chemical StudiesNonlinear Optical Materials Research