Competing Singlet Fission and Excimer Formation in Solid Fluorinated 1,3-Diphenylisobenzofurans

0550054 - ÚOCHB 2022 RIV US eng J - Článek v odborném periodiku
Buchanan, E. A. - Johnson, J. C. - Tan, M. - Kaleta, Jiří - Shtukenberg, A. G. - Bateman, G. - Benedict, J. B. - Kobayashi, Shinjiro - Wen, Jin - Kahr, B. - Císařová, I. - Michl, Josef
Competing Singlet Fission and Excimer Formation in Solid Fluorinated 1,3-Diphenylisobenzofurans.
Journal of Physical Chemistry C. Roč. 125, č. 49 (2021), s. 27058-27071. ISSN 1932-7447. E-ISSN 1932-7455
Grant CEP: GA ČR(CZ) GA19-22806S
Institucionální podpora: RVO:61388963
Klíčová slova: crystal packings * excimer formation * excimers
Obor OECD: Organic chemistry
Impakt faktor: 4.177, rok: 2021
Způsob publikování: Omezený přístup
https://doi.org/10.1021/acs.jpcc.1c06712

Singlet fission (kSF) and excimer formation (kEXC) rate constants along with other photophysical properties of thin solid layers of 1,3-diphenylisobenzofuran and 11 of its fluorinated derivatives have been determined. The molecular properties of these compounds are similar, but their crystal packing varies widely. Most of them undergo singlet fission whereas excitation in others is trapped in excimers. The trend in rate constants kSF agrees qualitatively with results of calculations by a simplified version of the frontier orbital model for a molecular pair. The main shortcoming of the model is discussed.
Trvalý link: http://hdl.handle.net/11104/0325905