Structural Transitions of the Metal-Oxide Nodes within Metal-Organic Frameworks: On the Local Structures of NU-1000 and UiO-66.
In situ pair distribution function (PDF) analyses and density functional theory (DFT) computations are used to probe local structural transitions of MO nodes found in two metal organic frameworks (MOFs), NU-1000 and UiO-66, for M = Zr, Hf. Such transitions are found to occur without change to the gl...
| Published in: | Journal of the American Chemical Society Vol. 138; no. 12; pp. 4178 - 4186 |
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| Main Authors: | , , , , , , , |
| Format: | Article |
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American Chemical Society
3/30/2016
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| Subjects: | |
| Online Access: | View this record in EBSCOhost |
| fields | @attributes: recordID: 1 pdfLink: plink: https://search.ebscohost.com/login.aspx?direct=true&db=hlh&AN=114700239&site=ehost-live header: @attributes: shortDbName: hlh uiTerm: 114700239 longDbName: Humanities International Complete uiTag: AN controlInfo: bkinfo: jinfo: jid: 00027863 ACS jtl: Journal of the American Chemical Society issn: 00027863 maglogo: N pubinfo: dt: 3/30/2016 vid: 138 iid: 12 pid: 997 pub: American Chemical Society artinfo: ui: 114700239 10.1021/jacs.6b00069 ppf: 4178 ppct: 8 formats: tig: atl: Structural Transitions of the Metal-Oxide Nodes within Metal-Organic Frameworks: On the Local Structures of NU-1000 and UiO-66. aug: au: Platero-Prats, Ana E. Mavrandonakis, Andreas Gallington, Leighanne C. Yangyang Liu Hupp, Joseph T. Farha, Omar K. Cramer, Christopher J. Chapman, Karena W. affil: X-ray Science Division, Advanced Photon Source, Argonne National Laboratory, Argonne, Illinois 60439-4858, United States Department of Chemistry, Chemical Theory Center, and Supercomputing Institute, University of Minnesota, Minneapolis, Minnesota 55455-0431, United States Department of Chemistry, Northwestern University, Evanston, Illinois 60208-3113, United States Department of Chemistry, Faculty of Science, King Abdulaziz University, Jeddah 21589, Saudi Arabia su: Density functionals Metallic oxides Distribution (Probability theory) Properties of matter Thermodynamic state variables sug: subj: Density functionals Metallic oxides Distribution (Probability theory) Properties of matter Thermodynamic state variables ab: In situ pair distribution function (PDF) analyses and density functional theory (DFT) computations are used to probe local structural transitions of MO nodes found in two metal organic frameworks (MOFs), NU-1000 and UiO-66, for M = Zr, Hf. Such transitions are found to occur without change to the global framework symmetry at temperatures within a range relevant to many potential MOF applications. For the particular M(O) nodes studied here, the observed distortions can be mapped to polymorphic forms known for bulk ZrO. In the MOF framework, however, node distortions are found to occur at substantially lower temperature than analogous distortions in bulk ZrO owing to the nanoscale nature of the former. pubtype: Academic Journal doctype: Article src: R language: English refInfo: copyright: @attributes: flag: Y dt: @attributes: year: 2016 holdings: @attributes: islocal: N |
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