Theoretical studies on thermally activated delayed fluorescence of “carbene–metal–amide” Cu and Au complexes: geometric structures, excitation characters, and mechanisms
Xiu‐Fang Song, Ling‐Ya Peng, Wenkai Chen, Yuanjun Gao, Ganglong Cui
Abstract
Theoretical calculations reveal that both the coplanar and perpendicular S 1 and T 1 states are involved in the TADF emission of the CMA Cu[Au] complex.
Topics & Concepts
CarbeneMetalExcitationFluorescenceAmidePhotochemistryChemistryOrganic chemistryPhysicsCatalysisOpticsQuantum mechanicsOrganic Light-Emitting Diodes ResearchN-Heterocyclic Carbenes in Organic and Inorganic ChemistryCatalytic Cross-Coupling Reactions