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具有门控开启现象的柔性金属有机框架中的 CO 动力学

CO Dynamics in a Flexible Metal-Organic Framework with Gate-Opening Phenomenon.

作者信息

Xu Jiabin, Zhang Wanli, Liu Jingyan, Zhong Jun, Sham Tsun-Kong, Huang Yining

机构信息

Department of Chemistry, and Soochow-Western Centre for Synchrotron Radiation Research, The University of Western Ontario, London, Ontario, N6A 5B7, Canada.

Institute of Functional Nano and Soft Materials Laboratory (FUNSOM), Jiangsu Key Laboratory for Carbon-Based Functional Materials & Devices, and Soochow-Western Centre for Synchrotron Radiation Research, Soochow University, Suzhou, 215123, China.

出版信息

Chemistry. 2024 Dec 18;30(71):e202402775. doi: 10.1002/chem.202402775. Epub 2024 Nov 8.

DOI:10.1002/chem.202402775
PMID:39349359
Abstract

As a promising porous material for CO adsorption and storage, elastic layer-structured metal-organic framework-11 (ELM-11) has attracted significant attention owing to its distinct gate-opening phenomenon. There is a sharp increase in CO uptake once reaching the gate-opening threshold pressure. To better understand this gate-opening mechanism, we investigated its transition process from the perspective of CO dynamics and its interaction with the framework via variable-temperature C solid-state nuclear magnetic resonance spectroscopy. Our findings revealed that during the gate-opening process, CO is initially strongly adsorbed at one site when the gate only slightly opens, while two distinct types of CO molecules exist when the gate fully opens. B, C, and F magic-angle spinning NMR, in conjunction with in-situ XANES experiments, were also conducted to probe the location of adsorption sites.

摘要

作为一种用于 CO 吸附和存储的有前景的多孔材料,弹性层状金属有机框架-11(ELM-11)因其独特的门控开启现象而备受关注。一旦达到门控开启阈值压力,CO 的吸附量会急剧增加。为了更好地理解这种门控开启机制,我们通过变温 13C 固态核磁共振光谱从 CO 动力学及其与框架相互作用的角度研究了其转变过程。我们的研究结果表明,在门控开启过程中,当门仅略微打开时,CO 最初强烈吸附在一个位点上,而当门完全打开时存在两种不同类型的 CO 分子。还进行了 B、C 和 F 魔角旋转核磁共振以及原位 XANES 实验,以探测吸附位点的位置。

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