Excitation Localization/Delocalization Isomerism in a Strongly Coupled Covalent Dimer of 1,3-Diphenylisobenzofuran

Joel N. Schrauben, Akin Akdag, Jin Wen, Zdenek Havlas, Joseph L. Ryerson, Millie B. Smith, Josef Michl, Justin C. Johnson

Research output: Contribution to journalArticlepeer-review

32 Scopus Citations

Abstract

Two isomers of both the lowest excited singlet (S1) and triplet (T1) states of the directly para, para′-connected covalent dimer of the singlet-fission chromophore 1,3-diphenylisobenzofuran have been observed. In one isomer, excitation is delocalized over both halves of the dimer, and in the other, it is localized on one or the other half. For a covalent dimer in solution, such "excitation isomerism" is extremely rare. The vibrationally relaxed isomers do not interconvert, and their photophysical properties, including singlet fission, differ significantly.

Original languageAmerican English
Pages (from-to)3473-3483
Number of pages11
JournalJournal of Physical Chemistry A
Volume120
Issue number20
DOIs
StatePublished - 26 May 2016

Bibliographical note

Publisher Copyright:
© 2016 American Chemical Society.

NREL Publication Number

  • NREL/JA-5900-64670

Keywords

  • dimers
  • singlet fission
  • solar-photochemistry
  • spectroscopy

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