A 3D Ba-MOF for selective adsorption of CO2/CH4 and CO2/N2

Abstract An unexpected in-situ hydrolysis reaction occurred during the solvothermal reaction of N,N′-bis(4-carboxy-2-methylphenyl)pyromellitic di-imide) and Ba(NO3)2, and a novel porous Ba-MOF, [H2N(CH3)​2]0.5[Ba1.5(L)(DMA)]·1.5DMA·1.5H2O (UPC-70, H3L = 2-(4-carboxy-2-methylphenyl)-1,3-dioxoisoindoline-5,6-dicarboxylic acid, DMA = N,N-dimethylacetamide), was obtained on the basis of the partial hydrolysate. The as-synthesized 3D network with 1D open channels of different sizes (24 A and 10 A) contains abundant open metal sites after removal of solvents, which is conducive to the preferential adsorption of CO2. The subsequent gas sorption measurement reveals the high separation selectivity of UPC-70 for CO2/CH4 (15) and CO2/N2 (32) at ambient conditions, and GCMC theoretical simulation provides good verification of the experimental results, indicating that UPC-70 is a potential candidate for CO2 capture from flue gas and natural gas.