Understanding the luminescence properties of Cu(<scp>i</scp>) complexes: a quantum chemical perusal
Nora Lüdtke, Jelena Föller, Christel M. Marian
Abstract
wavefunctions are dominated by MLCT excitations tend to emit phosphorescence instead. Unlike the situation in metal-free TADF emitters, the presence of low-lying locally excited triplet states does not promote ISC. These states rather hold the danger of trapping the excitation with nonradiative deactivation being the major deactivation channel.
Topics & Concepts
Intersystem crossingChemistryPhosphorescenceExcited stateMultireference configuration interactionSinglet stateLuminescenceTriplet stateOscillator strengthDensity functional theoryQuantum efficiencyPhotochemistryAtomic physicsMolecular physicsComputational chemistryFluorescencePhysicsSpectral lineQuantum mechanicsOptoelectronicsBasis setOrganic Light-Emitting Diodes ResearchMagnetism in coordination complexesN-Heterocyclic Carbenes in Organic and Inorganic Chemistry