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- Title
Tetranuclear Cu<sup>II</sup> Cluster as the Ten Node Building Unit for the Construction of a Metal–Organic Framework for Efficient C<sub>2</sub>H<sub>2</sub>/CO<sub>2</sub> Separation.
- Authors
Xiang, Fahui; Zhang, Hao; Yang, Yisi; Li, Lu; Que, Zhenni; Chen, Liangji; Yuan, Zhen; Chen, Shimin; Yao, Zizhu; Fu, Jianwei; Xiang, Shengchang; Chen, Banglin; Zhang, Zhangjing
- Abstract
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 [Cu4(PO3)2(μ2‐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 π‐complexation interactions between the C2H2 molecules and framework pore surfaces, leading to its more C2H2 uptakes over CO2 molecules.
- Subjects
METAL-organic frameworks; BUILDING design &; construction; COPPER clusters; MONTE Carlo method; GAS absorption &; adsorption; COPPER
- Publication
Angewandte Chemie, 2023, Vol 135, Issue 13, p1
- ISSN
0044-8249
- Publication type
Article
- DOI
10.1002/ange.202300638