Thermally activated delayed fluorescence of a Ir(<scp>iii</scp>) complex: absorption and emission properties, nonradiative rates, and mechanism
Ling‐Ya Peng, Ziwen Li, Guang‐Ning Pan, Wenkai Chen, Yuanjun Gao, Ganglong Cui
Abstract
DFT, TD-DFT and MS-CASPT2 studies reveal the TADF mechanism of Ir( iii ) complex.
Topics & Concepts
PhosphorescenceIntersystem crossingTime-dependent density functional theoryDensity functional theoryFluorescenceChemistryExcited statePhotochemistryAbsorption (acoustics)Singlet stateAtomic physicsMaterials scienceComputational chemistryPhysicsOpticsComposite materialOrganic Light-Emitting Diodes ResearchLanthanide and Transition Metal ComplexesMagnetism in coordination complexes