A Free Tetrazolyl Decorated Metal–Organic Framework Exhibiting High and Selective CO2 Adsorption

In this work, we employed a new tetrazolyl-functionalized ligand, 5-(1H-tetrazole-5-yl)-1,3-bis­(3,5-dicarboxylphenyl)-benzene (H5TBDPB), and successfully obtained an example of incorporating free tetrazolyl groups in transition-metal-based MOFs based upon an ideal MOF platform. With a BET surface area of 2070 m2 g–1, this new tetrazolyl-decorated MOF [Cu6(TBDPB)3(H2O)6]·9DMF·15H2O (HHU-5, HHU for Hohai University) exhibits a high CO2 adsorption capacity of 37.1 wt % at 1 bar and 273 K and high CO2 separation capacity toward N2 and CH4 as well.