New insights into the excited state intramolecular proton transfer (ESIPT) competition mechanism for different intramolecular hydrogen bonds of Kaempferol and Quercetin in solution
Feixiang Ji, Zibo Wu, Mengqi Wang, Yurong Guo, Chao Wang, Shiping Wang, Guangjiu Zhao
Topics & Concepts
Intramolecular forceDensity functional theoryHydrogen bondTime-dependent density functional theoryExcited stateChemistryPhotochemistryMoleculeComputational chemistryMolecular orbitalStereochemistryAtomic physicsOrganic chemistryPhysicsPhotochemistry and Electron Transfer StudiesFree Radicals and AntioxidantsSpectroscopy and Quantum Chemical Studies