Heavy-atom effects on intramolecular singlet fission in a conjugated polymer

Andrew J. Musser, Mohammed Al-Hashimi, Martin Heeney, Jenny Clark

Research output: Contribution to journalArticle

Abstract

A chief aim in singlet fission research is to develop new materials concepts for more efficient singlet fission. The typical approaches such as tuning π-overlap and charge-transfer interactions, enhancing delocalization, altering diradical character, or extending the conjugation length have profound effects simultaneously on the singlet and triplet energetics and the couplings between them. While these strategies have resulted in a handful of high-efficiency materials, the complex interplay of these factors makes systematic materials development challenging, and it would be useful to be able to selectively manipulate the properties and dynamics of just part of the singlet fission pathway. Here, we investigate the potential of heteroatom substitution as just such a selective tool. We explore the influence of heavy atoms within the main backbone of polythienylenevinylene and its selenophene and tellurophene derivatives. We find no significant effects on the prompt <300 fs intramolecular singlet fission dynamics but a clear heavy-atom effect on longer time scales.

Original languageEnglish
Article number044902
JournalJournal of Chemical Physics
Volume151
Issue number4
DOIs
Publication statusPublished - 28 Jul 2019

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Conjugated polymers
fission
Atoms
polymers
atoms
Charge transfer
Substitution reactions
Tuning
conjugation
Derivatives
tuning
charge transfer
substitutes
interactions

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

Cite this

Heavy-atom effects on intramolecular singlet fission in a conjugated polymer. / Musser, Andrew J.; Al-Hashimi, Mohammed; Heeney, Martin; Clark, Jenny.

In: Journal of Chemical Physics, Vol. 151, No. 4, 044902, 28.07.2019.

Research output: Contribution to journalArticle

Musser, Andrew J. ; Al-Hashimi, Mohammed ; Heeney, Martin ; Clark, Jenny. / Heavy-atom effects on intramolecular singlet fission in a conjugated polymer. In: Journal of Chemical Physics. 2019 ; Vol. 151, No. 4.
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