Gold(<scp>i</scp>)-containing light-emitting molecules with an inverted singlet–triplet gap
Daniel Blasco, Rinat T. Nasibullin, Rashid R. Valiev, Dage Sundholm
Abstract
Substitution with gold( i )-containing moieties results in non-vanishing oscillator strengths and spin–orbit coupling leading to fast intersystem crossing in light-emitting heptazine derivates with an inverted singlet–triplet gap.
Topics & Concepts
Intersystem crossingSinglet stateChemistryMoleculeExcited stateCoupled clusterAb initioDiradicalMolecular physicsPhotochemistryComputational chemistryAtomic physicsPhysicsOrganic chemistryOrganic Light-Emitting Diodes ResearchOrganometallic Complex Synthesis and CatalysisMolecular Junctions and Nanostructures