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

Eric A. Buchanan, Justin C. Johnson, Melissa Tan, Jiří Kaleta, Alexander G. Shtukenberg, Gage Bateman, Jason B. Benedict, Shinjiro Kobayashi, Jin Wen, Bart Kahr, Ivana Císařová, Josef Michl

Research output: Contribution to journalArticlepeer-review


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 languageEnglish (US)
Pages (from-to)27058-27071
Number of pages14
JournalJournal of Physical Chemistry C
Issue number49
StatePublished - Dec 16 2021

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • General Energy
  • Physical and Theoretical Chemistry
  • Surfaces, Coatings and Films


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