Optimized Pore Nanospace through the Construction of a Cagelike Metal-Organic Framework for CO2/N2 Separation

The development of metal-organic framework (MOF)adsorbentswith a potential molecule sieving effect for CO2 captureand separation from flue gas is of critical importance for reducingthe CO2 emissions to the atmosphere yet challenging. Herein,a cagelike MOF with a suitable cage window size falling between CO2 and N-2 and the cavity has been constructed toevaluate its CO2/N-2 separation performance.It is noteworthy that the introduction of coordinated dimethylamine(DMA) and N,N '-dimethylformamide(DMF) molecules not only significantly reduces the cage window sizebut also enhances the framework-CO2 interactionvia C-H center dot center dot center dot O hydrogen bonds, as proven by molecularmodeling, thus leading to an improved CO2 separation performance.Moreover, transient breakthrough experiments corroborate the efficientCO(2)/N-2 separation, revealing that the introductionof DMA and DMF molecules plays a vital role in the separation of aCO(2)/N-2 gas mixture. A cagelike metal-organic framework (MOF), FJUT-4,is constructed from 1,3,5-benzenetricarboxylate linkers and trinuclearNi(3)O clusters, featuring a suitable cage window size fallingbetween CO2 and N-2, a moderate cavity, and anoptimized pore surface, by introducing coordinated dimethylamine and N,N '-dimethylformamide moleculesand is used for efficient CO2 removal from a CO2/N-2 gas mixture.