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Optimized Separating Acetylene from Carbon Dioxide and Ethylene in a Microporous Material

Published

Author(s)

Rui-Biao Lin, Libo Li, Hui Wu, Hadi Arman, Bin Li, Rong-Guang Lin, Wei Zhou, Banglin Chen

Abstract

Selective separation of acetylene (C2Hd2^)from carbon dioxide (CO2) or ethylene (C2H4) needs specific porous materials whose pores can realize sieving effects while pore surfaces can differentiate their recognitions for these molecules of similar molecular sizes and physical properties. We report a microporous material [Zn(dps)2(Sif6)] (UTSA-300, dps = 4,4'-dipyridylsulfide) with two-dimensional channels of about 3.3 angstram}, well-matched for the molecular sizes of C2H2. After activation, the network was transformed to its closed phase UTSA-300a with dispersed 0D cavities, accompanied by conformation change of the pyridyl ligand and rotation of Sif62-^ pillars. Strong C-H...F and π-π stacking interactions are found in closed UTSA-300a, resulting shrinkage of the structure. Interestingly, UTSA-300A takes up quite high amount of acetylene (76.4 cm3 g-1), while shows complete C3H4 and CO2 exclusion from C2H2 under ambient conditions. Neutron powder diffraction and molecule modeling studies clearly reveal that C2H2 molecule primarily bind two hexafluorosilicate F atoms in a head-on orientation, breaking the original intra-network hydrogen bonding and subsequently expanding to opened structure. Crystal structures, gas sorption isotherms, molecular modeling, experimental breakthrough experiment and selectivity calculation comprehensively demonstrated this unique MOF material for the highly selective C2H2/CO2 and C2H2.C2H4 separation.
Citation
Journal of American Chemical Society
Volume
139
Issue
23

Keywords

gas separation, metal-organic framework

Citation

Lin, R. , Li, L. , Wu, H. , Arman, H. , Li, B. , Lin, R. , Zhou, W. and Chen, B. (2017), Optimized Separating Acetylene from Carbon Dioxide and Ethylene in a Microporous Material, Journal of American Chemical Society, [online], https://tsapps.nist.gov/publication/get_pdf.cfm?pub_id=923567 (Accessed April 16, 2024)
Created June 14, 2017, Updated October 12, 2021