Davydov splitting and singlet fission in excitonically coupled pentacene dimers

作者：Bettina S. Basel, Constantin Hetzer, Johannes Zirzlmeier, Dominik Thiel, Rebecca Guldi, Frank Hampel, Axel Kahnt, Timothy Clark, Dirk Michael Guldi, Rik R. Tykwinski · 发表于：Chemical Science · 年份：2019 · DOI：10.1039/c9sc00384c · 被引用次数：90 · 研究领域：Organic Electronics and Photovoltaics、Spectroscopy and Quantum Chemical Studies、Photochemistry and Electron Transfer Studies

). Inter-chromophore communication ensures Davydov splitting, which plays an unprecedented role toward achieving SF in pentacene dimers. Transient absorption measurements document that intramolecular SF evolves upon excitation into the lower Davydov bands to form a correlated triplet pair at cryogenic temperature. At room temperature, the two spin-correlated triplets, one per pentacene moiety within the dimers, are electronically coupled to an excimer state. The presented results are transferable to a broad range of acene morphologies including aggregates, crystals, and films.