Classification and quantitative characterisation of the excited states of π-conjugated diradicals
Lujo Matasović, Hugo Bronstein, Richard H. Friend, Felix Plasser
Abstract
groups allows us to interconvert between the closed- and open-shell forms of pQDM illustrating the connection between the states in both forms. More generally, we hope that this work will lay the foundations for a more powerful rational design approach to diradicals for photophysical applications.
Topics & Concepts
Excited stateConjugated systemChemistryComputational chemistryAtomic physicsPhysicsOrganic chemistryPolymerAdvanced Chemical Physics StudiesFullerene Chemistry and ApplicationsMagnetism in coordination complexes