类聚合物中的分子结构和晶体结构之间的普遍关系以及 cis 脊柱形状的普遍性
Douglas R Greer1,2, Michael A Stolberg1, Joyjit Kundu3
1Materials Sciences Division, Lawrence Berkeley National Laboratory , Berkeley, California 94720, United States.
Journal of the American Chemical Society
|January 9, 2018
概括
类聚合物在晶体中表现出一种常见的结构图案,采用具有全cis脊柱的延伸平面形状. 这一由X射线散射和模拟所揭示的发现与孤立分子的行为形成鲜明对比.
科学领域:
- 聚合物科学
- 材料科学
- 晶体学
背景情况:
- 类聚合物以其固态的结晶性而闻名.
- 之前的研究没有在晶体型聚合物中确定一个共同的结构图案.
研究的目的:
- 研究类聚合物中的分子结构和晶体结构之间的关系.
- 在各种类共聚物和之前报告的聚合物中识别共同的结构特征.
主要方法:
- 具有不同侧链 (S) 和主链 (N) 长度的类共聚物的合成和X射线散射分析.
- 对18种类聚合物的现有X射线散射数据的检查.
- 聚合物格子的分子动力学模拟.
主要成果:
- 建立单元尺寸 (a,b,c) 的简单,预测关系作为 S 和 N 的函数.
- 证明这些关系适用于散装晶体和自组装纳米板.
- 发现类聚合物在固态和自组装结构中采用延伸的平面形状.
- 分子动力学模拟表明,在包装结构中,人们更喜欢骨干胺的全形状.
结论:
- 类聚合物根据侧链和主链的长度具有可预测的单元细胞尺寸.
- 分子采用延伸的平面形状,不管状态如何 (散装晶体或自组装纳米板).
- 在晶体和高分子排列中,类聚合物有利于全cis脊柱形状,与分离分子的偏好相反.
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