Tetranuclear Cu-II Cluster as the Ten Node Building Unit for the Construction of a Metal-Organic Framework for Efficient C2H2/CO2 Separation

文献类型: 外文期刊

第一作者: Xiang, Fahui

作者: Xiang, Fahui;Zhang, Hao;Yang, Yisi;Li, Lu;Que, Zhenni;Chen, Liangji;Yuan, Zhen;Chen, Shimin;Yao, Zizhu;Xiang, Shengchang;Chen, Banglin;Zhang, Zhangjing;Xiang, Fahui;Fu, Jianwei

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关键词: C2H2/CO2 Separation; Metal-Organic Framework; Pore Space Partition; Tetranuclear Copper-Based Cluster; pi-Complexation

期刊名称:ANGEWANDTE CHEMIE-INTERNATIONAL EDITION ( 影响因子:16.6; 五年影响因子:15.3 )

ISSN: 1433-7851

年卷期: 2023 年

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收录情况: SCI

摘要: Rational design of high nuclear copper cluster-based metal-organic frameworks has not been established yet. Herein, we report a novel MOF (FJU-112) with the ten-connected tetranuclear copper cluster [Cu-4(PO3)(2)(mu(2)-H2O)(2)(CO2)(4)] as the node which was capped by the deprotonated organic ligand of H4L (3,5-Dicarboxyphenylphosphonic acid). With BPE (1,2-Bis(4-pyridyl)ethane) as the pore partitioner, the pore spaces in the structure of FJU-112 were divided into several smaller cages and smaller windows for efficient gas adsorption and separation. FJU-112 exhibits a high separation performance for the C2H2/CO2 separation, which were established by the temperature-dependent sorption isotherms and further confirmed by the lab-scale dynamic breakthrough experiments. The grand canonical Monte Carlo simulations (GCMC) studies show that its high C2H2/CO2 separation performance is contributed to the strong pi-complexation interactions between the C2H2 molecules and framework pore surfaces, leading to its more C2H2 uptakes over CO2 molecules.

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