Singlet fission in pentacene dimers
Abstract
In the present work, we show compelling evidence for the unprecedented intramolecular singlet fission at room temperature and in dilute solutions within a set of three different regioisomeric pentacene dimers. Pump-probe experiments, which were complemented by theoretical calculations using high-level ab initio multireference perturbation theory methods, corroborate triplet quantum yields as high as 156 ± 5%. To this end, electronic couplings between the two pentacenes in the dimers, by virtue of through-bond or through-space interactions, are decisive in tuning the rates of singlet fission.
- Publication:
-
Proceedings of the National Academy of Science
- Pub Date:
- April 2015
- DOI:
- 10.1073/pnas.1422436112
- Bibcode:
- 2015PNAS..112.5325Z