Designing Multicomponent Metal–Organic Frameworks with Hierarchical Structure-Mimicking Distribution for High CO₂ Capture Performance

By utilizing a mixed-ligand strategy, a novel multicomponent Cu-metal–organic framework (MOF) (JLU-MOF107) has been successfully synthesized. JLU-MOF107 has an unusual hierarchical structure-mimicking distribution structure. The triangular 4,4′,4″-benzene-1,3,5-triyl-tribenzoate (BTB) ligand and the binuclear Cu cluster form a threefold interpenetration layer, while the linear ligand 1,4-phenylene-4,4′-bis­(1,2,4-triazole) (p-tr₂ph) and tetranuclear Cu cluster form a noninterpenetration pillared-layer structure. Then, the two types of layers are connected by tetranuclear Cu clusters to construct the final sandwichlike framework. JLU-MOF107 exhibits good water and humidity stability. Due to the presence of various active sites and pores, JLU-MOF107 shows an outstanding performance for CO₂ capture (171.0 cm³ g^–1 at 273 K). Density functional theory (DFT)-based calculations further prove the interactions between CO₂ molecules and multiple active sites. The innovative synthesis of this multicomponent structure offers a new perspective on making hierarchical porous materials and multifunctional MOFs.