Theoretical insights into the directionality of ESIPT behavior of BTHMB molecule with two proton acceptors in solution
Xiuning Liang, Hua Fang
Topics & Concepts
PhotoexcitationIntramolecular forceChemistryProtonMoleculeBenzaldehydeExcited statePhotochemistryDensity functional theoryComputational chemistryAtomic physicsStereochemistryBiochemistryCatalysisOrganic chemistryQuantum mechanicsPhysicsPhotochemistry and Electron Transfer StudiesSpectroscopy and Quantum Chemical StudiesFree Radicals and Antioxidants