Selective CO 2 Adsorption By Methyl‐Functionalized Metal‐Organic Framework

A hydrophobic porous MOF functionalized by methyl groups with a chemical formula {[Cd 2 (oba) 2 (dmbpy)(H 2 O)]⋅2(EtOH)⋅4(H 2 O)} n ( 1 ) (oba=4,4′‐oxydibenzoate, dmbpy=3,3′‐dimethyl‐4,4′‐bipyridine, EtOH=ethanol) was synthesized and structurally characterized. 1 exhibits a 3D framework with a 1D channel parallel to the c axis. TGA, PXRD, and water vapor sorption results show high thermal and water stability for the framework. More importantly, 1 shows a very high adsorption selectivity to CO 2 as compared to other small gas molecules (e. g. CH 4 , N 2 , O 2 , CO and H 2 ) at 298 K based on the results of simulations and experiments.