An Amino-Functionalized Metal-Organic Framework, Based on a Rare Ba₁₂ (COO)₁₈ (NO₃ )₂ Cluster, for Efficient C₃ /C₂...

A barium(II) metal-organic framework (MOF) based on a predesigned amino-functionalized ligand, namely [Ba₂ (L)(DMF)(H₂ O)(NO₃ )_1/3 ]⋅DMF⋅EtOH⋅2 H₂ O (UPC-33) [H₃ 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 Ba₁₂ (COO)₁₈ (NO₃ )₂ cluster. UPC-33 shows permanent porosity and a high adsorption heat of CO₂ (49.92 kJ mol^-1 ), which can be used as a platform for selective adsorption of CO₂ /CH₄ (8.09). In addition, UPC-33 exhibits high separation selectivity for C₃ light hydrocarbons with respect to CH₄ (228.34, 151.40 for C₃ H₆ /CH₄ , C₃ H₈ /CH₄ at 273k and 1 bar), as shown by single component gas sorption and selectivity calculations. Due to the existence of -NH₂ groups in the channels, UPC-33 can effectively catalyze Knoevenagel condensation reactions with high yield, and substrate size and electron dependency.