Atomistic simulation investigations of the thermochromicity of poly(3-alkylthiophene) lattices

被引：5

作者：

Corish, J ^{[1
]}

MortonBlake, DA ^{[1
]}

Beniere, F ^{[1
]}

Lantoine, M ^{[1
]}

Marchetti, M ^{[1
]}

机构：

[1] UNIV RENNES 1,GRP MAT CONDENSEE & MAT,F-35042 RENNES,FRANCE

来源：

PROCEEDINGS OF THE 13TH INTERNATIONAL CONFERENCE ON DEFECTS IN INSULATING MATERIALS - ICDIM 96 | 1997年 / 239-卷

关键词：

poly(3-alkylthiophene); lattice simulation; thermochromism; chain distortions;

D O I：

10.4028/www.scientific.net/MSF.239-241.185

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

An atomistic investigation of poly(3-butylthiophene) simulates the torsion in the side chains and reveals stable gauche conformations. Coupled with these are main-chain deformations which could account for the thermochromicity observed in the material.

引用

页码：185 / 188

页数：4

共 12 条

[1] Interaction of side-chains in poly(3-alkylthiophene) lattices [J].

Corish, J ;

MortonBlake, DA ;

Beniere, F ;

Lantoine, M .

JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS, 1996, 92 (04) :671-677

[2] An atomistic simulation investigation of the inter-ring torsion in crystalline biphenyl [J].

Corish, J ;

MortonBlake, DA ;

ODonoghue, F ;

Baudour, JL ;

Beniere, F ;

Toudic, B .

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 1995, 358 :29-38

[3] X-RAY-DIFFRACTION AND INFRARED-SPECTROSCOPY STUDIES OF ORIENTED POLY(3-ALKYLTHIOPHENES) [J].

GUSTAFSSON, G ;

INGANAS, O ;

OSTERHOLM, H ;

LAAKSO, J .

POLYMER, 1991, 32 (09) :1574-1580

[4] CRYSTAL-STRUCTURE OF POLY(3-ALKYLTHIOPHENE) AND ITS DOPING EFFECT [J].

KAWAI, T ;

NAKAZONO, M ;

SUGIMOTO, R ;

YOSHINO, K .

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN, 1992, 61 (09) :3400-3406

[5]

LESLIE M, 1989, CASCADE PROGRAM RELE

[6]

Leslie M., 1984, DLSCITMB36T

[7]

MORTONBLAKE DA, 1996, ELECTROACTIVE POLY 2, pCH1

[8] X-RAY-DIFFRACTION STUDIES OF IODINE-DOPED POLY(3-ALKYLTHIOPHENES) [J].

PROSA, TJ ;

WINOKUR, MJ ;

MOULTON, J ;

SMITH, P ;

HEEGER, AJ .

SYNTHETIC METALS, 1993, 55 (01) :370-377

[9] THERMOCHROMISM IN POLY(3-HEXYLTHIOPHENE) IN THE SOLID-STATE - A SPECTROSCOPIC STUDY OF TEMPERATURE-DEPENDENT CONFORMATIONAL DEFECTS [J].

SALANECK, WR ;

INGANAS, O ;

THEMANS, B ;

NILSSON, JO ;

SJOGREN, B ;

OSTERHOLM, JE ;

BREDAS, JL ;

SVENSSON, S .

JOURNAL OF CHEMICAL PHYSICS, 1988, 89 (08) :4613-4619

[10] SOLUBLE CONDUCTING POLYTHIOPHENES [J].

SATO, M ;

TANAKA, S ;

KAERIYAMA, K .

JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS, 1986, (11) :873-874

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