Porous MOF with Highly Efficient Selectivity and Chemical Conversion for CO2

A new Co (II) -based MOF, Co 2 (tzpa) (OH) (H 2 O) 2 ·DMF n (1) (H 3 tzpa = 5- (4- (tetrazol-5-yl) phenyl) isophthalic acid), was constructed by employing a tetrazolyl-carboxyl ligand H 3 tzpa. 1 possesses 1D tubular channels that are decorated by μ 3 –OH groups, uncoordinated carboxylate O atoms, and open metal centers generated by the removal of coordinated water molecules, leading to high CO 2 adsorption capacity and significantly selective capture for CO 2 over CH 4 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 CO 2 -philic sites in 1. In addition, the activated 1 as the heterogeneous Lewis and Brønsted acid bifunctional catalyst facilitates the chemical fixation of CO 2 coupling with epoxides into cyclic carbonates under ambient conditions.