Extension of molecules with an inverted singlet–triplet gap with conjugated branches to alter the oscillator strength
Hwon Kim, Gregory D. Scholes, Seung Kyu Min
Abstract
inversion point of view, the static correlation with low-lying doubly excited configurations, the key mechanism behind the inversion in the localized excited state, weakens as the excited states delocalize. As a consequence, the dynamic correlation has a more decisive effect in determining the singlet-triplet gap.
Topics & Concepts
Conjugated systemSinglet stateExtension (predicate logic)MoleculeOscillator strengthPhotochemistrySinglet fissionChemistryMaterials scienceTriplet statePhysicsAtomic physicsQuantum mechanicsExcited stateOrganic chemistryPolymerComputer scienceSpectral lineProgramming languageLuminescence and Fluorescent MaterialsMolecular Junctions and NanostructuresOrganic Light-Emitting Diodes Research