The separation of acetylene (CH) from ethylene (CH) and ethane (CH) is crucial for the production of high-purity CH and the recovery of other gases. Polyhedron-based metal-organic frameworks (PMOFs) are characterized by their spacious cavities, which facilitate gas trapping, and cage windows with varying sizes that enable gas screening. In this study, we carefully selected a class of PMOFs based on V-type tetracarboxylic acid linker ( containing benzene ring, containing urea group and recombinant reconstructed on the basis of ) to study the relationship between pore environment and C adsorption and separation performance. Among the three compounds, exhibits superior selectivity toward CH/CH (2.06) as well as CH/CH (2.43). Comparative structural analysis reveals that the exceptional adsorbed-CH performance of can be attributed to the synergistic effects arising from coordinatively unsaturated Cu sites combined with an optimal pore environment (matched pore size and polarity, urea functional group), resulting in a strong affinity between the framework and CH molecules. Furthermore, transient breakthrough simulations of confirmed its potential for separating CH in ternary C gas.
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Key Laboratory of the Ministry of Education for Advanced Catalysis Materials, College of Chemistry and Materials Sciences, Zhejiang Normal University, Jinhua 321004, P.R. China.
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