The mechanism of intramolecular halogen bonding enhanced the quantum efficiency of ultralong organic phosphorescence in the aggregated state
Songsong Liu, Yang Gao, Kai Zhang, Shulei Liu, Lan Hao, Lili Lin, Chuan‐Kui Wang, Jianzhong Fan, Yuzhi Song
Abstract
The mechanism of intramolecular halogen bonding enhancing the quantum efficiency of ultralong organic phosphorescence is revealed based on first-principles calculations.
Topics & Concepts
PhosphorescenceIntersystem crossingDensity functional theoryIntramolecular forceIntermolecular forceHalogen bondChemical physicsChemistryExcited stateQuantum efficiencyComputational chemistryMoleculeMaterials sciencePhotochemistryPhysical chemistryAtomic physicsHydrogen bondPhysicsQuantum mechanicsStereochemistryOptoelectronicsSinglet stateFluorescenceOrganic chemistryLuminescence and Fluorescent MaterialsOrganic Light-Emitting Diodes ResearchMolecular Sensors and Ion Detection