Porous MOF with Highly Efficient Selectivity and Chemical Conversion for CO₂

Abstract

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.