Davydov splitting and singlet fission in excitonically coupled pentacene dimers

Journal article

Publication Details

Author(s): Basel B, Hetzer C, Zirzlmeier J, Thiel D, Guldi R, Hampel F, Kahnt A, Clark T, Guldi DM, Tykwinski RR
Journal: Chemical Science
Publication year: 2019
Volume: 10
Journal issue: 13
Pages range: 3854-3863
ISSN: 2041-6520


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.

FAU Authors / FAU Editors

Basel, Bettina
Sonderforschungsbereich 953/2 Synthetische Kohlenstoffallotrope
Clark, Timothy apl. Prof. Dr.
Guldi, Rebecca
Lehrstuhl für Organische Chemie II
Guldi, Dirk Michael Prof. Dr.
Lehrstuhl für Physikalische Chemie I
Hampel, Frank Dr.
Lehrstuhl für Organische Chemie I
Hetzer, Constantin
Lehrstuhl für Anorganische und Allgemeine Chemie
Thiel, Dominik
Lehrstuhl für Physikalische Chemie I
Zirzlmeier, Johannes
Lehrstuhl für Physikalische Chemie I

Additional Organisation
Interdisziplinäres Zentrum für Molekulare Materialien

External institutions with authors

Leibniz-Institute für Oberflächenmodifizierung e. V. (IOM) / Leibniz Institute of Surface Modification
University of Alberta

How to cite

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

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


Last updated on 2019-21-07 at 07:51