Robust MetalOrganic Framework with An Octatopic Ligand for Gas Adsorption and Separation: Combined Characterization by Experiments and Molecular Simulation
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A newly designed octatopic carboxylate ligand, tetrakis[(3,5- dicarboxyphenyl)oxamethyl]methane (TDM 8-) has been used to connect a dicopper paddlewheel building unit affording a metal-organic framework (MOF), Cu 4(H 2O) 4(TDM)xS (PCN-26xS, S represents noncoordinated solvent molecules, PCN = porous coordination network) with novel structure, high gas uptake, and interesting gas adsorption selectivity. PCN-26 contains two different types of cages, octahedral and cuboctahedral, to form a polyhedron-stacked three-dimensional framework with open channels in three orthogonal directions. Gas adsorption studies of N 2, Ar, and H 2 on an activated PCN-26 at 77 K, 1 bar, reveals a Langmuir surface area of 2545 m 2/g, a Brunauer-Emmett- Teller (BET) surface area of 1854 m 2/g, a total pore volume of 0.84 cm 3/g, and a H 2 uptake capacity of 2.57 wt %. Additionally, PCN-26 exhibits a CO 2/N 2 selectivity of 49:1 and CO 2/CH 4 selectivity of 8.4:1 at 273 K. To investigate properties of gas adsorption and the adsorption sites for CO 2 in activated PCN-26, theoretical simulations of the adsorption isotherms of CO 2, CH 4, and N 2 at different temperatures were carried out. Experimental results corroborate very well with those of molecular simulations. 2011 American Chemical Society.
author list (cited authors)
Zhuang, W., Yuan, D., Liu, D., Zhong, C., Li, J., & Zhou, H.
complete list of authors
Zhuang, Wenjuan||Yuan, Daqiang||Liu, Dahuan||Zhong, Chongli||Li, Jian-Rong||Zhou, Hong-Cai