An Amino‐Functionalized Metal‐Organic Framework, Based on a Rare Ba12(COO)18(NO3)2 Cluster, for Efficient C3/C2/C1 Separation and Preferential Catalytic Performance

Abstract A barium(II) metal‐organic framework (MOF) based on a predesigned amino‐functionalized ligand, namely [Ba 2 (L)(DMF)(H 2 O)(NO 3 ) 1/3 ] ⋅ DMF ⋅ EtOH ⋅ 2 H 2 O (UPC‐33) [H 3 L=4,4′‐((2‐amino‐5‐carboxy‐1,3‐phenylene)bis(ethyne‐2,1‐diyl))dibenzoic acid] has been synthesized. UPC‐33 is a 3‐dimensional 3,18‐connected network with fcu topology with a rare twelve‐nuclear Ba 12 (COO) 18 (NO 3 ) 2 cluster. UPC‐33 shows permanent porosity and a high adsorption heat of CO 2 (49.92 kJ mol −1 ), which can be used as a platform for selective adsorption of CO 2 /CH 4 (8.09). In addition, UPC‐33 exhibits high separation selectivity for C 3 light hydrocarbons with respect to CH 4 (228.34, 151.40 for C 3 H 6 /CH 4 , C 3 H 8 /CH 4 at 273k and 1 bar), as shown by single component gas sorption and selectivity calculations. Due to the existence of −NH 2 groups in the channels, UPC‐33 can effectively catalyze Knoevenagel condensation reactions with high yield, and substrate size and electron dependency.