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 language||English (US)|
|Number of pages||4|
|Journal||Solid State Communications|
|State||Published - Jan 1 1993|
ASJC Scopus subject areas
- Condensed Matter Physics
- Materials Chemistry