灵活性(工程)
旋转(数学)
配体(生物化学)
金属有机骨架
化学
计算机科学
组合化学
人工智能
数学
有机化学
受体
生物化学
统计
吸附
作者
Yingjie Zhao,Wenqi Tang,Xiaowei Wang,Huifang Zhao,Zhi‐Yuan Gu,Qingyuan Yang,Dahuan Liu
出处
期刊:Chemical Science
[The Royal Society of Chemistry]
日期:2022-01-01
卷期号:13 (40): 11896-11903
被引量:2
摘要
Local flexibility in a metal-organic framework is intriguing for reconstructing a microenvironment to distinguish different guest molecules by emphasizing their differences. Herein, guest-adaptive flexibility is observed in a metal-organic framework for efficiently discriminating aromatic isomers. Microcrystal electron diffraction directly reveals that the anthracene rings can rotate around the single bond with the adsorption of guest molecules. Disorder transformation of the ligand enables the preferential adsorption of ethylbenzene over other xylene isomers. Especially, a coated capillary column combining single/multi-component adsorption confirms a unique separation order of ethylbenzene > p-xylene > m-xylene > o-xylene with excellent selectivities, which has not been reported in other materials. Density functional theory calculations and the calculated Hirshfeld surface of guest molecules in the framework demonstrate that a guest-induced splint-like confinement structure makes the main contribution to such separation performance. This finding will provide a rational strategy for molecular recognition utilizing the local flexibility of metal-organic frameworks.
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