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

Eric Buchanan, Justin Johnson, Melissa Tan, Jiri Kaleta, Alexander Shtukenberg, Gage Bateman, Jason Benedict, Shinjiro Kobayashi, Jin Wen, Bart Kahr, Ivana Cisarova, Josef Michl

Research output: Contribution to journalArticlepeer-review

8 Scopus Citations


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.

Original languageAmerican English
Pages (from-to)27058-27071
Number of pages14
JournalJournal of Physical Chemistry C
Issue number49
StatePublished - 2021

Bibliographical note

Publisher Copyright:
© 2021 American Chemical Society

NREL Publication Number

  • NREL/JA-5900-80924


  • molecule
  • singlet fission
  • solar-photochemistry
  • spectroscopy


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