An INDO/S-CI study of the photoinduced absorption spectrum of polyemeraldine

S. Stafström*, Bo Sjögren, J. L. Brédas

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

66 Scopus citations


The optical properties of polyemeraldine base (PEB) are studied using the semi-empirical INDO/S-CI method. The theoretically calculated optical absorption spectrum is in very good agreement with experimental results showing absorption peaks at ∼2 and ∼4 eV. We find the lower absorption to be due to a localized HOMO to LUMO type of excitation and the high energy absorption to be a mixture of transitions from low lying orbitals to the LUMO and π-π* transitions. Upon optical pumping, new absorptions are experimentally observed at 0.9, 1.4, and 3.0 eV. We show that absorptions associated with positive and negative polarons as well as positive bipolarons account very well for the two higher peaks. No explanation for the 0.9 eV peak in terms of polarons or bipolarons could be found.

Original languageEnglish (US)
Pages (from-to)219-226
Number of pages8
JournalSynthetic Metals
Issue number1
StatePublished - Mar 7 1989
Externally publishedYes

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics
  • Mechanics of Materials
  • Mechanical Engineering
  • Metals and Alloys
  • Materials Chemistry


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