Crystal structure of poly(p-phenylene sulfide):: A refinement by X-ray measurements and molecular mechanics calculations

被引：30

作者：

Napolitano, R ^{[1
]}

Pirozzi, B ^{[1
]}

Salvione, A ^{[1
]}

机构：

[1] Univ Naples, Dipartimento Chim, I-80134 Naples, Italy

来源：

MACROMOLECULES | 1999年 / 32卷 / 22期

关键词：

D O I：

10.1021/ma990704x

中图分类号：

O63 [高分子化学（高聚物）];

学科分类号：

070305 ; 080501 ; 081704 ;

摘要：

Samples of poly(p-phenylene sulfide) obtained by different thermal and/or mechanical treatments are found to exhibit the same crystal structure. Conformational and packing analysis performed by molecular mechanics have given the lowest energy conformation of the polymer chain in the crystal state and the lowest energy crystal structure. The intensities of the observed reflections measured by a powder diffraction profile have been compared with the calculated intensities for different models of chain conformations and crystal structures. The lowest discrepancy index between calculated and observed intensities is obtained for a structure in very good agreement with that postulated by molecular mechanics.

引用

页码：7682 / 7687

页数：6

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