Selective CO2 Adsorption By Methyl‐Functionalized Metal‐Organic Framework

A hydrophobic porous MOF functionalized by methyl groups with a chemical formula {[Cd2(oba)2(dmbpy)(H2O)]⋅2(EtOH)⋅4(H2O)}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 CO2 as compared to other small gas molecules (e. g. CH4, N2, O2, CO and H2) at 298 K based on the results of simulations and experiments.