Journal of the American Chemical Society · 2018 · 198 citations · 45 references
Natural SciencesChemistryComputational ChemistryOrganometallic ChemistrySpectroscopyFluorescence SpectroscopyMolecular Excited StatesMolecular Orbital TheoryPhosphorescence SpectroscopyPhotochemistryExcited-state DynamicsLuminescent Coordination CompoundsMetal-ligand Charge TransferPhosphorescence KineticsPhotoluminescencePhotoluminescence Quantum YieldRadiative Transition RatesSpin-orbit Coupling Effects
. Experimental and computational evidence is consistent with the notion that an increase in spin-orbit coupling, caused by an enhancement of the metal-to-ligand charge transfer (MLCT) character of the excited state via destabilization of the HOMO, is mainly responsible for the faster radiative rates. One of the compounds was shown to be effective as the emissive dopant in an organic light-emitting diode device.
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