Substituent control of dynamical process for excited state intramolecular proton transfer of benzothiazole derivatives
Sujun Ji, Zhiling Ding, Jinfeng Zhao, Daoyuan Zheng
Topics & Concepts
ChemistryExcited stateIntramolecular forceTime-dependent density functional theoryDensity functional theoryBenzothiazoleHOMO/LUMOPhotochemistryHydrogen bondMolecular orbitalGround stateComputational chemistryMoleculeAtomic physicsStereochemistryOrganic chemistryPhysicsPhotochemistry and Electron Transfer StudiesPorphyrin and Phthalocyanine ChemistryFree Radicals and Antioxidants