High CO2/N2 Selectivity and H2 Adsorption of a Novel Porous Yttrium Metal–Organic Framework Based on N,N′,N″-Tris(isophthalyl)-1,3,5-benzenetricarboxamide

On the basis of a new topology, a novel yttrium metal–organic framework [Y2(TPBTM)(H2O)2]·xG (TPBTM = N,N′,N″-tris(isophthalyl)-1,3,5-benzenetricarboxamide and G = guest molecule) (NJU-Bai11) has been synthesized and structurally characterized. NJU-Bai11 crystallizes in a chiral space group and in its topological net and exists left of the helical rods, which are constituted from edge-sharing pyramidal polyhedra with points of extension as carboxylic carbon atoms along the a axis. NJU-Bai11 exhibits excellent adsorption capacity for CO2 (130.0 cm3/g at 273 K, 1 bar) and H2 (160.0 cm3/g at 77 K, 1 bar). Remarkably, NJU-Bai11 possesses high H2 adsorption enthalpy (7.05 kJ/mol), which is approaching the highest value (7.3 kJ/mol) reported among rare-earth metal–organic frameworks (RE-MOFs). In addition, a high selectivity ratio of 30.2 for CO2 over N2 makes NJU-Bai11 possess a potential practical application in gas purification.