Inorganic Chemistry · 2021 · 27 citations · 29 references
Natural SciencesChemistryPhysicsComputational ChemistrySolid-state ChemistrySpectroscopyCarbene ComplexesCoordination ChemistryDensity Functional TheoryMolecular Orbital TheoryPhotochemistryTransition Metal ComplexesBlue Light EmissionCarbene Coordination ChemistryElectron-donating GroupsElectron-withdrawing GroupsPhosphorescent MaterialsPlatinum CompoundsReaction Quantum YieldsThermal Properties
The combination of strong electron-withdrawing groups in cyclometalated N-heterocyclic carbene ligands (C^C*) with known beneficial auxiliary ligands in phosphorescent platinum(II) complexes leads to efficient light-to-deep-blue emission with quantum yields of up to 92%. All compounds were characterized and investigated regarding their photophysical, electrochemical, and thermal properties, and three complexes could additionally be characterized by solid-state structures. Density functional theory calculations (PBE0/6-311G* with dispersion correction) are reported.
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