Vibronic structure in the optical absorption spectra of phenylene vinylene oligomers: a joint experimental and theoretical study

J. Cornil, D. Beljonne, Z. Shuia, T. W. Hagler, I. Campbell, D. D.C. Bradley, J. L. Brédas, C. W. Spangler, K. Müllen

Research output: Contribution to journalArticlepeer-review

127 Scopus citations

Abstract

We present a joint experimental and theoretical investigation of the optical absorption spectra of phenylene vinylene oligomers. The vibronic structure, which is clearly observed in the experimental spectra, is well described by a simple model based on the Frank-Condon approximation but requires the use of at least two effective modes coupled to the electronic states. Using a fitting procedure, we deduce the displacement of the 1Bu excited state potential energy curve relative to that of the ground state and compare it to the results of recent Hartree-Fock semi-empirical calculations. Such information is of prime importance in the description of the frequency-dependent linear as well as nonlinear optical responses.

Original languageEnglish (US)
Pages (from-to)425-432
Number of pages8
JournalChemical Physics Letters
Volume247
Issue number4-6
DOIs
StatePublished - Dec 29 1995
Externally publishedYes

ASJC Scopus subject areas

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

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