Porous MOF with Highly Efficient Selectivity and Chemical Conversion for CO2

A new Co­(II)-based MOF, {[Co2(tzpa)­(OH)­(H2O)2]·DMF}n (1) (H3tzpa = 5-(4-(tetrazol-5-yl)­phenyl)­isophthalic acid), was constructed by employing a tetrazolyl-carboxyl ligand H3tzpa. 1 possesses 1D tubular channels that are decorated by μ3–OH groups, uncoordinated carboxylate O atoms, and open metal centers generated by the removal of coordinated water molecules, leading to high CO2 adsorption capacity and significantly selective capture for CO2 over CH4 and CO in the temperature range of 298–333 K. Moreover, 1 shows the chemical stability in acidic and basic aqueous solutions. Grand canonical Monte Carlo simulations identified multiple CO2-philic sites in 1. In addition, the activated 1 as the heterogeneous Lewis and Brønsted acid bifunctional catalyst facilitates the chemical fixation of CO2 coupling with epoxides into cyclic carbonates under ambient conditions.