Theoretical characterization of ring torsional solitons in polyparaphenylene

C. Quattrocchi; D. A. dos Santos; J. L. Brédas

doi:10.1016/0038-1098(93)90438-S

Theoretical characterization of ring torsional solitons in polyparaphenylene

C. Quattrocchi^*, D. A. dos Santos, J. L. Brédas

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-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 language	English (US)
Pages (from-to)	203-206
Number of pages	4
Journal	Solid State Communications
Volume	85
Issue number	3
DOIs	https://doi.org/10.1016/0038-1098(93)90438-S
State	Published - Jan 1993
Externally published	Yes

ASJC Scopus subject areas

General Chemistry
Condensed Matter Physics
Materials Chemistry

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10.1016/0038-1098(93)90438-S

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title = "Theoretical characterization of ring torsional solitons in polyparaphenylene",

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.",

author = "C. Quattrocchi and {dos Santos}, {D. A.} and Br{\'e}das, {J. L.}",

year = "1993",

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doi = "10.1016/0038-1098(93)90438-S",

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T1 - Theoretical characterization of ring torsional solitons in polyparaphenylene

AU - Quattrocchi, C.

AU - dos Santos, D. A.

AU - Brédas, J. L.

PY - 1993/1

Y1 - 1993/1

N2 - 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.

AB - 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.

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DO - 10.1016/0038-1098(93)90438-S

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JO - Solid State Communications

JF - Solid State Communications

IS - 3

ER -

Theoretical characterization of ring torsional solitons in polyparaphenylene

Abstract

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