Davydov splitting and singlet fission in excitonically coupled pentacene dimers

Basel B, Hetzer C, Zirzlmeier J, Thiel D, Guldi R, Hampel F, Kahnt A, Clark T, Guldi DM, Tykwinski RR (2019)


Publication Type: Journal article

Publication year: 2019

Journal

Book Volume: 10

Pages Range: 3854-3863

Journal Issue: 13

DOI: 10.1039/c9sc00384c

Abstract

Singlet fission (SF) allows two charges to be generated from the absorption of a single photon and is, therefore, potentially transformative toward improving solar energy conversion. Key to the present study of SF is the design of pentacene dimers featuring a xanthene linker that strictly places two pentacene chromophores in a rigid arrangement and, in turn, enforces efficient, intramolecular pi-overlap that mimics interactions typically found in condensed state (e.g., solids, films, etc.). 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.

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APA:

Basel, B., Hetzer, C., Zirzlmeier, J., Thiel, D., Guldi, R., Hampel, F.,... Tykwinski, R.R. (2019). Davydov splitting and singlet fission in excitonically coupled pentacene dimers. Chemical Science, 10(13), 3854-3863. https://dx.doi.org/10.1039/c9sc00384c

MLA:

Basel, Bettina, et al. "Davydov splitting and singlet fission in excitonically coupled pentacene dimers." Chemical Science 10.13 (2019): 3854-3863.

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