To optimize the separation performance of Metal-Organic Cages (MOCs) for C2H2/CO2 , this study adopted ligand functionalization as the core strategy to regulate pore structure. An allyl-functionalized terephthalic acid ligand was designed and synthesized, which was then used to construct ZrT-1-allyl. The ZrT-1-allyl maintains the same framework structure as ZrT-1. The introduction of the allyl group regulates the pore size, optimizes the pore microenvironment, and thereby achieves the selective adsorption of C2H2. The test results show that ZrT-1-allyl exhibits excellent adsorption affinity for C2H2. At 298 K and 1 bar, its C2H2 adsorption capacity (42.54 cm3/g) is significantly improved, and both the separation selectivity and dynamic separation duration for C2H2/CO2 (24min/g) are superior to those of the parent ZrT-1 material. This study confirms that allyl functionalization is an effective method to regulate the pore structure and adsorption performance of ZrT-1, providing new ideas and experimental basis for the design of high-performance MOCs materials for C2H2/CO2 separation.
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