Theoretical characterization of ring torsional solitons in polyparaphenylene

C. Quattrocchi*, D. A. dos Santos, Jean-Luc Bredas

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

3 Scopus citations

Abstract

A quantum chemical approach is used to investigate the formation of solitons involving a kink in the torsional-angle alternation pattern of aromatic rings along chains of polyparaphenylene (PPP). The results indicate that the ring-torsional solitons in PPP present a modified functional tanh-like evolution similar to that found in polyaniline (leucoemeraldine); they optimally extend over about five rings and do not cause the appearance of electronic states within the bandgap. These ring-torsional solitons are thus markedly different from the bond-length solitons present for instance in transpolyacetylene.

Original languageEnglish (US)
Pages (from-to)203-206
Number of pages4
JournalSolid State Communications
Volume85
Issue number3
DOIs
StatePublished - Jan 1 1993

ASJC Scopus subject areas

  • Chemistry(all)
  • Condensed Matter Physics
  • Materials Chemistry

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