Excited-state singlet–triplet inversion in hexagonal aromatic and heteroaromatic compounds
Andrzej L. Sobolewski, Wolfgang Domcke
Abstract
The inversion of the energies of the lowest singlet (S 1 ) and lowest triplet (T 1 ) excited states in violation of Hund's multiplicity rule is a rare phenomenon in stable organic molecules.
Topics & Concepts
HOMO/LUMOChemistrySinglet stateExcited stateBorazineChromophoreTriplet stateComputational chemistryMoleculePhotochemistryAb initioMolecular orbitalCrystallographyAtomic physicsPhysicsBoron nitrideOrganic chemistryOrganic Light-Emitting Diodes ResearchLuminescence and Fluorescent MaterialsPhotochemistry and Electron Transfer Studies