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

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

Research output: Contribution to journalArticlepeer-review

67 Scopus citations

Abstract

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
Volume29
Issue number1
DOIs
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

Fingerprint

Dive into the research topics of 'An INDO/S-CI study of the photoinduced absorption spectrum of polyemeraldine'. Together they form a unique fingerprint.

Cite this