Midgap levels of photoexcited conductive polymers. II. Detailed analysis of trans‐polyacetylene

Kazuyoshi Tanaka, Kazunari Yoshizawa, Tomonari Takeuchi, Tokio Yamabe

Research output: Contribution to journalArticle

1 Citation (Scopus)

Abstract

We have studied in more detail aspects of the soliton‐antisoliton pair in a trans‐polyacetylene chain based on our previous study of the midgap levels associated with the photogenerated oppositely charged soliton‐antisoliton pair in conductive polymers employing the concept of the molecular orbital interaction (Part I of this study, this issue). The intersoliton distance has been estimated to be about 10 Å from the Pariser–Parr–Pople method. We have found that the energy gap between the midgap levels is estimated to be 0.45 eV, being significantly related to an additional photoinduced absorption.

Original languageEnglish
Pages (from-to)315-322
Number of pages8
JournalInternational Journal of Quantum Chemistry
Volume40
Issue number3
DOIs
Publication statusPublished - Sep 1991
Externally publishedYes

All Science Journal Classification (ASJC) codes

  • Atomic and Molecular Physics, and Optics
  • Condensed Matter Physics
  • Physical and Theoretical Chemistry

Fingerprint Dive into the research topics of 'Midgap levels of photoexcited conductive polymers. II. Detailed analysis of trans‐polyacetylene'. Together they form a unique fingerprint.

  • Cite this