CONFORMATIONAL AND PACKING ENERGY OF THE CRYSTALLINE ALPHA-MODIFICATION OF SYNDIOTACTIC POLYSTYRENE

被引：52

作者：

CORRADINI, P

DEROSA, C

GUERRA, G

NAPOLITANO, R

PETRACCONE, V

PIROZZI, B

机构：

[1] Dipartimento di Chimica, Universitá di Napoli, 80134 Napoli

来源：

EUROPEAN POLYMER JOURNAL | 1994年 / 30卷 / 10期

关键词：

Crystalline materials - Electron energy levels - Molecular structure - Optimization - Physical chemistry - X ray analysis;

D O I：

10.1016/0014-3057(94)90255-0

中图分类号：

O63 [高分子化学（高聚物）];

学科分类号：

070305 ; 080501 ; 081704 ;

摘要：

Conformational and packing energy calculations have been performed on the alpha modification of syndiotactic polystyrene. The conformational energy has been optimized as a function of the internal parameters of the chain. The packing energy has been calculated considering at first the best packing of chains in triplets and then the best packing of triplets in the space groups R3BAR and P3BAR. The comparison of the results of the energy calculations with the X-ray experimental data corroborates a rhombohedral mode of packing of the triplets, corresponding to the space group R3BAR.

引用

页码：1173 / 1177

页数：5

共 8 条

[1]

CHATANI Y, 1988, POLYM PREPR JPN, V37, P1179

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