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 language | English (US) |
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Pages (from-to) | 5567-5578 |
Number of pages | 12 |
Journal | Journal of Chemical Physics |
Volume | 121 |
Issue number | 12 |
DOIs | |
State | Published - Sep 22 2004 |
Externally published | Yes |
ASJC Scopus subject areas
- General Physics and Astronomy
- Physical and Theoretical Chemistry