NUMERICAL ESTIMATION OF UNPERTURBED DIMENSIONS OF REGIOIRREGULAR POLY(3-ETHYLTHIOPHENE)S

被引：4

作者：

HE, ZR

YANG, XZ

ZHAO, DL

机构：

[1] Polymer Physics Laboratory, Institute of Chemistry, Academia Sinica, Beijing

来源：

MACROMOLECULAR THEORY AND SIMULATIONS | 1995年 / 4卷 / 02期

关键词：

D O I：

10.1002/mats.1995.040040204

中图分类号：

O63 [高分子化学（高聚物）];

学科分类号：

070305 ; 080501 ; 081704 ;

摘要：

The unperturbed chain dimensions of poly(3-ethylthiophene)s have been calculated using the full-relaxation optimization of conformational energies and the chain statistical mechanics with a rotational isomeric state model of two states. The computation indicates that the conjugated polymer with side groups is more flexible than without, and that the orientation of the ethyl group and the regioirregular sequences perturb the chain conformation to a certain extent. Specially, the calculated chain conformations under theta-conditions are more rigid than those observed in good solvent. This supports experiments showing that the chain dimensions of conjugated polymers are very sensitive to variations of intermolecular interactions.

引用

页码：277 / 288

页数：12

共 15 条

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