Modulating the ground state, stability and charge transport in OFETs of biradicaloid hexahydro-diindenopyrene derivatives and a proposed method to estimate the biradical character
Tanguy Jousselin‐Oba, Masashi Mamada, Atsushi Okazawa, Jérôme Marrot, Takayuki Ishida, Chihaya Adachi, Abderrahim Yassar, Michel Frigoli
Abstract
Biradicaloid HDIP derivatives show that the Δ<italic>E</italic><sub>S–T</sub> gap does not follow the reverse trend of the biradical character but depends more on the delocalization of the radical centres at the outer rings.
Topics & Concepts
Character (mathematics)Ground stateCharge (physics)ChemistryStability (learning theory)Computational chemistryState (computer science)Computer scienceMathematicsPhysicsAlgorithmAtomic physicsQuantum mechanicsGeometryMachine learningSynthesis and Properties of Aromatic CompoundsOrganic Electronics and PhotovoltaicsConducting polymers and applications