Strategies for Design of Potential Singlet Fission Chromophores Utilizing a Combination of Ground-State and Excited-State Aromaticity Rules
Ouissam El Bakouri, Joshua R. Smith, Henrik Ottosson
Abstract
+ 2 rules, together with substituent effects (electronic and steric) and benzannelation, can be used to tailor new chromophores with potential use in singlet fission photovoltaics.
Topics & Concepts
ChemistrySinglet fissionChromophoreExcited stateAromaticitySinglet stateGround stateState (computer science)FissionPhotochemistryComputational chemistryAtomic physicsMoleculeOrganic chemistryNuclear physicsNeutronComputer scienceAlgorithmPhysicsSynthesis and Properties of Aromatic CompoundsFullerene Chemistry and ApplicationsLuminescence and Fluorescent Materials