Heteroatom oxidation controls singlet–triplet energy splitting in singlet fission building blocks
J. Terence Blaskovits, Maria Fumanal, Sergi Vela, Yuri Cho, Clémence Corminbœuf
Abstract
N - and S -heteroatom oxidation is shown to induce appropriate energy splitting between the first singlet and triplet excited states in conjugated building blocks, making singlet fission thermodynamically possible.
Topics & Concepts
HeteroatomSinglet fissionIntramolecular forceSinglet stateFissionPhotochemistryRange (aeronautics)ChemistryEnergy (signal processing)Materials scienceChemical physicsAtomic physicsPhysicsStereochemistryRing (chemistry)Nuclear physicsOrganic chemistryNeutronComposite materialQuantum mechanicsExcited statePerovskite Materials and ApplicationsAmmonia Synthesis and Nitrogen ReductionSolid-state spectroscopy and crystallography