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dc.contributor.authorLuo, Feng
dc.contributor.authorYan, Changsheng
dc.contributor.authorDang, Lilong
dc.contributor.authorKrishna, Rajamani
dc.contributor.authorZhou, Wei
dc.contributor.authorWu, Hui
dc.contributor.authorDong, Xinglong
dc.contributor.authorHan, Yu
dc.contributor.authorHu, Tong-Liang
dc.contributor.authorO’Keeffe, Michael
dc.contributor.authorWang, Lingling
dc.contributor.authorLuo, Mingbiao
dc.contributor.authorLin, Rui-Biao
dc.contributor.authorChen, Banglin
dc.date.accessioned2016-11-03T13:22:19Z
dc.date.available2016-11-03T13:22:19Z
dc.date.issued2016-04-26
dc.identifier.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.
dc.identifier.issn0002-7863
dc.identifier.issn1520-5126
dc.identifier.pmid27113684
dc.identifier.doi10.1021/jacs.6b02030
dc.identifier.urihttp://hdl.handle.net/10754/621668
dc.description.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.
dc.description.sponsorshipThis 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).
dc.publisherAmerican Chemical Society (ACS)
dc.titleUTSA-74: A MOF-74 Isomer with Two Accessible Binding Sites per Metal Center for Highly Selective Gas Separation
dc.typeArticle
dc.contributor.departmentAdvanced Membranes and Porous Materials Research Center
dc.contributor.departmentChemical Science Program
dc.contributor.departmentNanostructured Functional Materials (NFM) laboratory
dc.contributor.departmentPhysical Science and Engineering (PSE) Division
dc.identifier.journalJournal of the American Chemical Society
dc.contributor.institutionSchool of Biology, Chemistry and Material Science, East China University of Technology, Fuzhou, Jiangxi, China
dc.contributor.institutionVan't Hoff Institute for Molecular Sciences, University of Amsterdam, Science Park 904, Amsterdam, Netherlands
dc.contributor.institutionCenter for Neutron Research, National Institute of Standards and Technology, Gaithersburg, MD, United States
dc.contributor.institutionSchool of Materials Science and Engineering, National Institute for Advanced Materials, Collaborative Innovation Center of Chemical Science and Engineering (Tianjin), Nankai University, Tianjin, China
dc.contributor.institutionSchool of Molecular Sciences, Arizona State University, Tempe, AZ, United States
dc.contributor.institutionDepartment of Chemistry, University of Texas at San Antonio, One UTSA Circle, San Antonio, TX, United States
kaust.personDong, Xinglong
kaust.personHan, Yu
dc.relation.issupplementedbyDOI:10.5517/ccdc.csd.cc14462k
dc.relation.issupplementedbyDOI:10.5517/ccdc.csd.cc14463l
dc.relation.issupplementedbyDOI:10.5517/ccdc.csd.cc14464m
display.relations<b> Is Supplemented By:</b> <br/> <ul><li><i>[Dataset]</i> <br/> 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: <a href="https://doi.org/10.5517/ccdc.csd.cc14462k">10.5517/ccdc.csd.cc14462k</a> HANDLE: <a href="http://hdl.handle.net/10754/624501">10754/624501</a></li><li><i>[Dataset]</i> <br/> 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: <a href="https://doi.org/10.5517/ccdc.csd.cc14463l">10.5517/ccdc.csd.cc14463l</a> HANDLE: <a href="http://hdl.handle.net/10754/624502">10754/624502</a></li><li><i>[Dataset]</i> <br/> 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: <a href="https://doi.org/10.5517/ccdc.csd.cc14464m">10.5517/ccdc.csd.cc14464m</a> HANDLE: <a href="http://hdl.handle.net/10754/624503">10754/624503</a></li></ul>
dc.date.published-online2016-04-26
dc.date.published-print2016-05-04


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