title: Singlet fission in pentacene dimers.
abstract: Singlet fission (SF) has the potential to supersede the traditional solar energy conversion scheme by means of boosting the photon-to-current conversion efficiencies beyond the 30% Shockley-Queisser limit. Here, we show unambiguous and compelling evidence for unprecedented intramolecular SF within regioisomeric pentacene dimers in room-temperature solutions, with observed triplet quantum yields reaching as high as 156 ± 5%. Whereas previous studies have shown that the collision of a photoexcited chromophore with a ground-state chromophore can give rise to SF, here we demonstrate that the proximity and sufficient coupling through bond or space in pentacene dimers is enough to induce intramolecular SF where two triplets are generated on one molecule.
authors: Department of Chemistry and Pharmacy & Interdisciplinary Center for Molecular Materials, Friedrich-Alexander-Universität Erlangen-Nürnberg, 91058 Erlangen, Germany;
authors: Johannes
authors: J
authors: Zirzlmeier
authors: Department of Chemistry, University of Alberta, Edmonton, AB, Canada T6G 2G2;
authors: Dan
authors: D
authors: Lehnherr
authors: Institute for Theoretical Physics & Interdisciplinary Center for Molecular Materials, Friedrich-Alexander-Universität Erlangen-Nürnberg, 91058 Erlangen, Germany; and.
authors: Pedro B
authors: PB
authors: Coto
authors: Department of Chemistry and Pharmacy & Interdisciplinary Center for Molecular Materials, Friedrich-Alexander-Universität Erlangen-Nürnberg, 91054 Erlangen, Germany.
authors: Erin T
authors: ET
authors: Chernick
authors: Department of Chemistry and Pharmacy & Interdisciplinary Center for Molecular Materials, Friedrich-Alexander-Universität Erlangen-Nürnberg, 91058 Erlangen, Germany;
authors: Rubén
authors: R
authors: Casillas
authors: Department of Chemistry and Pharmacy & Interdisciplinary Center for Molecular Materials, Friedrich-Alexander-Universität Erlangen-Nürnberg, 91058 Erlangen, Germany;
authors: Bettina S
authors: BS
authors: Basel
authors: Institute for Theoretical Physics & Interdisciplinary Center for Molecular Materials, Friedrich-Alexander-Universität Erlangen-Nürnberg, 91058 Erlangen, Germany; and.
authors: Michael
authors: M
authors: Thoss
authors: Department of Chemistry and Pharmacy & Interdisciplinary Center for Molecular Materials, Friedrich-Alexander-Universität Erlangen-Nürnberg, 91054 Erlangen, Germany rik.tykwinski@fau.de dirk.guldi@fau.de.
authors: Rik R
authors: RR
authors: Tykwinski
authors: Department of Chemistry and Pharmacy & Interdisciplinary Center for Molecular Materials, Friedrich-Alexander-Universität Erlangen-Nürnberg, 91058 Erlangen, Germany; rik.tykwinski@fau.de dirk.guldi@fau.de.
authors: Dirk M
authors: DM
authors: Guldi
keywords: acene oligomers; excited states; multireference perturbation theory; singlet fission; time-resolved spectroscopy