适应性分子柱[n]arene晶体中的近理想的烯选择性
Kecheng Jie1, Ming Liu2, Yujuan Zhou1
1State Key Laboratory of Chemical Engineering, Center for Chemistry of High-Performance & Novel Materials, Department of Chemistry , Zhejiang University , Hangzhou 310027 , People's Republic of China.
Journal of the American Chemical Society
|May 15, 2018
概括
灵活的支柱[6]晶能有效地将对烯与其同位素分离. 这种可适应的分子材料在固态吸附中具有很高的特异性,为化芳香化合物分离提供了可持续的解决方案.
科学领域:
- 材料科学
- 化学工程
- 超分子化学
背景情况:
- 对于工业可持续性而言,高能效的芳化合物分离至关重要.
- 选择性分离的多孔材料如热质石和金属有机框架.
- 在C8的色异构体 (para-, meta-, ortho-xylene) 中存在分离问题.
研究的目的:
- 调查柔性甲基柱[n]烯晶体的使用,以分离C8基芳香化合物.
- 为了证明柱状对烯的固态分离能力.
- 了解支柱[6]arene中选择性吸附的结构-属性关系.
主要方法:
- 化柱[n]烯晶体的合成和表征 (n=5,6).
- 固态吸附研究,以评估C8色异构体的分离.
- 分子符合性搜索和晶体结构预测 (CSP) 以合理化灵活性.
- 用X射线衍射和13C固态NMR光谱进行材料特征.
主要成果:
- 柱状[6]烯晶体在固态中将基烯与甲基烯和正基烯分离时达到90%的特异性.
- 在吸附过程中,柱体[6]的柔性腔体适应,使得对烯的优先结合成为可能.
- 晶体结构预测成功解释了柱体[6]arene的结构变化.
结论:
- 柔性柱体[6]作为有效的固体吸附剂用于对烯分离.
- 材料的适应性是其高选择性的关键.
- 晶体结构预测是理解和设计用于分离应用的柔软,适应性分子晶体的宝贵工具.
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