An Amino-Functionalized Metal-Organic Framework, Based on a Rare Ba (COO) (NO ) Cluster, for Efficient C /C /C Separation and Preferential Catalytic Performance.

A barium(II) metal-organic framework (MOF) based on a predesigned amino-functionalized ligand, namely [Ba (L)(DMF)(H O)(NO ) ]⋅DMF⋅EtOH⋅2 H O (UPC-33) [H 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 (COO) (NO ) cluster. UPC-33 shows permanent porosity and a high adsorption heat of CO (49.92 kJ mol ), which can be used as a platform for selective adsorption of CO /CH (8.09). In addition, UPC-33 exhibits high separation selectivity for C light hydrocarbons with respect to CH (228.34, 151.40 for C H /CH , C H /CH at 273k and 1 bar), as shown by single component gas sorption and selectivity calculations. Due to the existence of -NH groups in the channels, UPC-33 can effectively catalyze Knoevenagel condensation reactions with high yield, and substrate size and electron dependency.