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

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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@article{db887d4c80b64a279fea0f55d5651453,

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.\}",

note = "Funding Information: AcknowledgemenWtse. acknowledgferu itfuldiscussions with ProfessoPr. Dufoura ndP rofessoGr . Noel. This work hasb eenp artlys upportebdy theB elgian{"} P61ed 'Attraction Interuniversitaeirne C himieS upramoldculaeirte C atalyse{"}, {"}Programmde' Impulsioenn Technologidee l'Information, IT-SC-22{"}, and {"}Fonds National de la Recherche Scientifique{"}.",

year = "1993",

month = jan,

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

language = "English (US)",

volume = "85",

pages = "203--206",

journal = "Solid State Communications",

issn = "0038-1098",

publisher = "Elsevier Ltd",

number = "3",

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TY - JOUR

T1 - Theoretical characterization of ring torsional solitons in polyparaphenylene

AU - Quattrocchi, C.

AU - dos Santos, D. A.

AU - Brédas, J. L.

N1 - Funding Information: AcknowledgemenWtse. acknowledgferu itfuldiscussions with ProfessoPr. Dufoura ndP rofessoGr . Noel. This work hasb eenp artlys upportebdy theB elgian" P61ed 'Attraction Interuniversitaeirne C himieS upramoldculaeirte C atalyse", "Programmde' Impulsioenn Technologidee l'Information, IT-SC-22", and "Fonds National de la Recherche Scientifique".

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.

UR - https://www.scopus.com/pages/publications/0027306225

UR - https://www.scopus.com/pages/publications/0027306225#tab=citedBy

U2 - 10.1016/0038-1098(93)90438-S

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

M3 - Article

AN - SCOPUS:0027306225

SN - 0038-1098

VL - 85

SP - 203

EP - 206

JO - Solid State Communications

JF - Solid State Communications

IS - 3

ER -

Theoretical characterization of ring torsional solitons in polyparaphenylene

Abstract

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