A zinc(II) metal−organic framework with high affinity for CO2 based on triazole and tetrazolyl benzene carboxylic acid

A new metal–organic framework {[Zn2(Htzba)2(dmtrz)]·(CH3)2NH}n (1) that has already been solvothermally synthesized exhibits a high CO2 uptake capacity based on experimental and simulation calculation results. Furthermore, the selectivities to CO2/CH4 and CO2/N2 are predicted by IAST to be 41.19 and 46.21 at 298 K and 100 kPa, respectively. The superior performance suggests that 1 is a promising candidate for CO2 separation.