Nature of photoexcitations in poly (paraphenylene vinylene) and its oligomers

Z. Shuai*, Jean-Luc Bredas, W. P. Su

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

79 Scopus citations

Abstract

Within a theoretical approach including both electron-phonon and electron-electron interaction terms, we investigate the relaxation processes of photoexcited states in oligomers and long chains of poly(paraphenylene vinylene), PPV. With regard to the vibronic structure, we find that the Huang-Rhys factor decreases monotonically as chain length increases. Our direct calculations indicate that in PPV the difference in binding energy between two polarons and one singlet (triplet) polaron-exciton decreases (increases) with the Hubbard U term; the long-range interaction V terms stabilize both the singlet and triplet polaron-excitons. The theoretically simulated photoinduced absorption spectra agree with experiment both for singlet and triplet states.

Original languageEnglish (US)
Pages (from-to)301-306
Number of pages6
JournalChemical Physics Letters
Volume228
Issue number4-5
DOIs
StatePublished - Oct 7 1994

ASJC Scopus subject areas

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

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