Optical properties of singly charged conjugated oligomers: A coupled-cluster equation of motion study

A. Ye*, Z. Shuai, O. Kwon, Jean-Luc Bredas, D. Beljonne

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

21 Scopus citations

Abstract

Optical properties of polarons of oligomers of polyacetylene (PA), polythiophene (PT), polyparaphenylene (PPP), and polyparaphenylene vinylene (PPV) were investigated. A coupled-cluster equation of motion approach combined with intermediate neglect of differential overlap parameterization was used for the analysis of excited state of charged conjugated oligomers. It was found that there were two subgap absorption peaks upon polaron formation. It was observed that the absorption cross-section was distributed almost equally between two excited states in phenylene based materials The results show that most of the polaronic oscillator strength is concentrated in a single excited state in polyenes and oligothiophenes.

Original languageEnglish (US)
Pages (from-to)5567-5578
Number of pages12
JournalJournal of Chemical Physics
Volume121
Issue number12
DOIs
StatePublished - Sep 22 2004

ASJC Scopus subject areas

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

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