UTSA-74: A MOF-74 Isomer with Two Accessible Binding Sites per Metal Center for Highly Selective Gas Separation
KAUST DepartmentAdvanced Membranes and Porous Materials Research Center
Chemical Science Program
Nanostructured Functional Materials (NFM) laboratory
Physical Science and Engineering (PSE) Division
Online Publication Date2016-04-26
Print Publication Date2016-05-04
Permanent link to this recordhttp://hdl.handle.net/10754/621668
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AbstractA new metal-organic framework Zn2(H2O)-(dobdc)·0.5(H2O) (UTSA-74, H4dobdc = 2,5-dioxido-1,4-benzenedicarboxylic acid), Zn-MOF-74/CPO-27-Zn isomer, has been synthesized and structurally characterized. It has a novel four coordinated fgl topology with one-dimensional channels of about 8.0 Å. Unlike metal sites in the wellestablished MOF-74 with a rod-packing structure in which each of them is in a five coordinate square pyramidal coordination geometry, there are two different Zn2+ sites within the binuclear secondary building units in UTSA-74 in which one of them (Zn1) is in a tetrahedral while another (Zn2) in an octahedral coordination geometry. After activation, the two axial water molecules on Zn2 sites can be removed, generating UTSA-74a with two accessible gas binding sites per Zn2 ion. Accordingly, UTSA-74a takes up a moderately high and comparable amount of acetylene (145 cm3/cm3) to Zn-MOF-74. Interestingly, the accessible Zn2+ sites in UTSA-74a are bridged by carbon dioxide molecules instead of being terminally bound in Zn-MOF-74, so UTSA-74a adsorbs a much smaller amount of carbon dioxide (90 cm3/cm3) than Zn-MOF-74 (146 cm3/cm3) at room temperature and 1 bar, leading to a superior MOF material for highly selective C2H2/CO2 separation. X-ray crystal structures, gas sorption isotherms, molecular modeling, and simulated and experimental breakthroughs comprehensively support this result. © 2016 American Chemical Society.
CitationLuo F, Yan C, Dang L, Krishna R, Zhou W, et al. (2016) UTSA-74: A MOF-74 Isomer with Two Accessible Binding Sites per Metal Center for Highly Selective Gas Separation. Journal of the American Chemical Society 138: 5678–5684. Available: http://dx.doi.org/10.1021/jacs.6b02030.
SponsorsThis work was supported by the NSF of China (21203022, 21261001, 21361001), the Natural Science Foundation of Jiangxi Province of China (no. 20143ACB20002), the Young Scientist Training Program of Jiangxi Province of China (no. 20142BCB23018), KAUST for the Competitive Research Funds (FCC/1/1972-02-01), and the Welch Foundation (AX-1730).
PublisherAmerican Chemical Society (ACS)
RelationsIs Supplemented By:
Luo, F., Yan, C., Dang, L., Krishna, R., Zhou, W., Wu, H., … Chen, B. (2016). CCDC 1046717: Experimental Crystal Structure Determination [Data set]. Cambridge Crystallographic Data Centre. https://doi.org/10.5517/ccdc.csd.cc14462k. DOI: 10.5517/ccdc.csd.cc14462k HANDLE: 10754/624501
Luo, F., Yan, C., Dang, L., Krishna, R., Zhou, W., Wu, H., … Chen, B. (2016). CCDC 1046718: Experimental Crystal Structure Determination [Data set]. Cambridge Crystallographic Data Centre. https://doi.org/10.5517/ccdc.csd.cc14463l. DOI: 10.5517/ccdc.csd.cc14463l HANDLE: 10754/624502
Luo, F., Yan, C., Dang, L., Krishna, R., Zhou, W., Wu, H., … Chen, B. (2016). CCDC 1046719: Experimental Crystal Structure Determination [Data set]. Cambridge Crystallographic Data Centre. https://doi.org/10.5517/ccdc.csd.cc14464m. DOI: 10.5517/ccdc.csd.cc14464m HANDLE: 10754/624503
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