ON THE STABILITY OF DOPED CONDUCTING POLYMERS - ELECTROSTATIC CONTRIBUTIONS AND STERICAL EFFECTS

被引：9

作者：

LOPEZNAVARRETE, JT ^{[1
]}

ZERBI, G ^{[1
]}

机构：

[1] POLITECN MILAN, DIPARTMENTO CHIM IND, I-20133 MILAN, ITALY

来源：

CHEMICAL PHYSICS LETTERS | 1990年 / 175卷 / 1-2期

关键词：

D O I：

10.1016/0009-2614(90)85529-L

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Quantum-chemical calculations on models of doped aromatic polymers with bipolarons as charge carriers emphasize the role played by electrostatic interactions between the organic molecule and the dopant. The equatorial configuration of the dopant with respect to the molecular chain turns out to be a structural characteristic. Sterical effects induced by bulky substituents affect such preferred configuration and influence the stability of the doped polymers. © 1990.

引用

页码：125 / 129

页数：5

共 19 条

[1]

BOGANG T, 1989, SYNTHETIC MET, V28, pC1, DOI 10.1016/0379-6779(89)90491-8

[2] SOLITONS AND POLARONS IN POLYACETYLENE - SELF-CONSISTENT-FIELD CALCULATIONS OF THE EFFECT OF NEUTRAL AND CHARGED DEFECTS ON MOLECULAR-GEOMETRY [J].

BOUDREAUX, DS ;

CHANCE, RR ;

BREDAS, JL ;

SILBEY, R .

PHYSICAL REVIEW B, 1983, 28 (12) :6927-6936

[3] ELECTRONIC-STRUCTURE OF HIGHLY CONDUCTING POLY-(PARA-PHENYLENE) CHAINS - AN ABINITIO HARTREE-FOCK STUDY [J].

BREDAS, JL ;

THEMANS, B ;

ANDRE, JM .

PHYSICAL REVIEW B, 1982, 26 (10) :6000-6002

[4] POLARONS AND BIPOLARONS IN POLYPYRROLE - EVOLUTION OF THE BAND-STRUCTURE AND OPTICAL-SPECTRUM UPON DOPING [J].

BREDAS, JL ;

SCOTT, JC ;

YAKUSHI, K ;

STREET, GB .

PHYSICAL REVIEW B, 1984, 30 (02) :1023-1025

[5] GROUND-STATES OF MOLECULES .38. MNDO METHOD - APPROXIMATIONS AND PARAMETERS [J].

DEWAR, MJS ;

THIEL, W .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (15) :4899-4907

[6]

DEWAR MJS, 1986, QCPE B, V6, P24

[7]

DEWAR MJS, QCPE506 AMPAC

[8] PROCESSIBLE, ENVIRONMENTALLY STABLE, HIGHLY CONDUCTIVE FORMS OF POLYTHIOPHENE [J].

ELSENBAUMER, RL ;

JEN, KY ;

MILLER, GG ;

SHACKLETTE, LW .

SYNTHETIC METALS, 1987, 18 (1-3) :277-282

[9] RADICAL CATION SALTS OF ARENES - STRUCTURE, PROPERTIES AND MODEL CHARACTER FOR CONDUCTING POLYMERS [J].

ENKELMANN, V ;

GOCKELMANN, K ;

WIENERS, G ;

MONKENBUSCH, M .

MOLECULAR CRYSTALS AND LIQUID CRYSTALS, 1985, 120 (1-4) :195-204

[10]

ENKELMANN V, 1983, MAKROMOL CHEM-RAPID, V4, P337

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