Microporous metal–organic framework with formate anion decorated pores for efficient C2H2/CO2 separation

Searching for effective porous materials with high loading capacity, low cost and high selectivity for the capture of C2H2 from the gas mixtures is of great importance and a challenge task considering the industrial values of C2H2 gas and the similar physicochemical properties of the gas mixtures. In the present study, a new metal-organic framework (MOF), namely {[Co(HCOO)(CPT)]·(DMF)(H2O)} (1) has been solvothermally synthesized by employ of the bifunctional linker 4-(4-carboxyphenyl)-1,2,4-triazole (HCPT) and the formate bridged metal-carboxylate-triazole secondary building units (SBUs), resulting in a three-dimensional (3D) framework with one-dimensional (1D) rhombic channels. Owing to the high-density formate decorated pore walls, the activated MOF shows a high uptake capacity toward C2H2 (126.4 ​cm3/g at 298 ​K and 1 ​bar) and selectivity for C2H2 over CO2 (13.6 ​at 298 ​K and 1 ​bar), which has been further supported by the results of grand canonical Monte Carlo (GCMC) calculation simulations.