Unveiling the theoretical mechanism of purely organic room temperature phosphorescence emission and heteroatomic effects on singlet-triplet intersystem crossing for isopropylthioxanthone derivatives
Haoyue Zhang, Yurong Guo, Zibo Wu, Yanan Wang, Yan Sun, Xia Feng, Haiyuan Wang, Guangjiu Zhao
Topics & Concepts
HeteroatomPhosphorescenceChemistryIntersystem crossingTime-dependent density functional theoryPhotochemistryDensity functional theoryMolecular orbitalHOMO/LUMOSinglet stateAtomic orbitalComputational chemistryFluorescenceExcited stateMoleculeRing (chemistry)Atomic physicsElectronOrganic chemistryPhysicsQuantum mechanicsOrganic Light-Emitting Diodes ResearchLuminescence and Fluorescent MaterialsRadical Photochemical Reactions