HELICAL PEIERLS DISTORTION - FORMATION OF HELICES OF POLYKETONE AND POLYISOCYANIDE

被引：15

作者：

CUI, CX

KERTESZ, M

机构：

[1] Department of Chemistry, Georgetown University, Washington

来源：

CHEMICAL PHYSICS LETTERS | 1990年 / 169卷 / 05期

关键词：

D O I：

10.1016/0009-2614(90)87075-3

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：

A new type of Peierls-like distortion, the formation of a helix due to the existence of partially filled crossing bands, is reported for polyketone and polyisocyanide. The torsional potential curves, optimized geometries, band structures and phonon dispersion curves are derived. A comparison with the well-known Peierls-distorted all-trans polyacetylene indicates close similarity between the two types of Peierls distortions. © 1990.

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页码：445 / 449

页数：5

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