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    Observation of Binding and Rotation of Methane and Hydrogen within a Functional Metal–Organic Framework

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    Type
    Article
    Authors
    Savage, Mathew
    da Silva, Ivan
    Johnson, Mark
    Carter, Joseph H.
    Newby, Ruth
    Suetin, Mikhail cc
    Besley, Elena
    Manuel, Pascal
    Rudić, Svemir
    Fitch, Andrew N.
    Murray, Claire
    David, William I. F.
    Yang, Sihai
    Schröder, Martin
    KAUST Department
    Advanced Membranes and Porous Materials Research Center
    Physical Science and Engineering (PSE) Division
    Date
    2016-07-13
    Online Publication Date
    2016-07-13
    Print Publication Date
    2016-07-27
    Permanent link to this record
    http://hdl.handle.net/10754/618996
    
    Metadata
    Show full item record
    Abstract
    The key requirement for a portable store of natural gas is to maximize the amount of gas within the smallest possible space. The packing of methane (CH4) in a given storage medium at the highest possible density is, therefore, a highly desirable but challenging target. We report a microporous hydroxyl-decorated material, MFM-300(In) (MFM = Manchester Framework Material, replacing the NOTT designation), which displays a high volumetric uptake of 202 v/v at 298 K and 35 bar for CH4 and 488 v/v at 77 K and 20 bar for H2. Direct observation and quantification of the location, binding, and rotational modes of adsorbed CH4 and H2 molecules within this host have been achieved, using neutron diffraction and inelastic neutron scattering experiments, coupled with density functional theory (DFT) modeling. These complementary techniques reveal a very efficient packing of H2 and CH4 molecules within MFM-300(In), reminiscent of the condensed gas in pure component crystalline solids. We also report here, for the first time, the experimental observation of a direct binding interaction between adsorbed CH4 molecules and the hydroxyl groups within the pore of a material. This is different from the arrangement found in CH4/water clathrates, the CH4 store of nature.
    Citation
    Observation of Binding and Rotation of Methane and Hydrogen within a Functional Metal–Organic Framework 2016, 138 (29):9119 Journal of the American Chemical Society
    Sponsors
    We thank the Universities of Manchester and Nottingham for funding. M.S. acknowledges receipt of an EPSRC Program Grant and ERC Advanced Grant. E.B. acknowledges receipt of an ERC Starter Grant. We are especially grateful to STFC and the ISIS Facility for access to TOSCA and WISH Beamlines, to Diamond Light Source for access to Beamline I11, and to the European Synchrotron Radiation Facility for access to Beamline ID31. INS simulations were carried out using the high performance computing resources at the ILL.
    Publisher
    American Chemical Society (ACS)
    Journal
    Journal of the American Chemical Society
    DOI
    10.1021/jacs.6b01323
    Additional Links
    http://pubs.acs.org/doi/abs/10.1021/jacs.6b01323
    Relations
    Is Supplemented By:
    • [Dataset]
      Savage, M., Da Silva, I., Johnson, M., Carter, J. H., Newby, R., Suyetin, M., … Schröder, M. (2016). CCDC 1043464: Experimental Crystal Structure Determination [Data set]. Cambridge Crystallographic Data Centre. https://doi.org/10.5517/ccdc.csd.cc140t43. DOI: 10.5517/ccdc.csd.cc140t43 HANDLE: 10754/624497
    • [Dataset]
      Savage, M., Da Silva, I., Johnson, M., Carter, J. H., Newby, R., Suyetin, M., … Schröder, M. (2016). CCDC 1043465: Experimental Crystal Structure Determination [Data set]. Cambridge Crystallographic Data Centre. https://doi.org/10.5517/ccdc.csd.cc140t54. DOI: 10.5517/ccdc.csd.cc140t54 HANDLE: 10754/624498
    • [Dataset]
      Savage, M., Da Silva, I., Johnson, M., Carter, J. H., Newby, R., Suyetin, M., … Schröder, M. (2016). CCDC 1043466: Experimental Crystal Structure Determination [Data set]. Cambridge Crystallographic Data Centre. https://doi.org/10.5517/ccdc.csd.cc140t65. DOI: 10.5517/ccdc.csd.cc140t65 HANDLE: 10754/624499
    • [Dataset]
      Savage, M., Da Silva, I., Johnson, M., Carter, J. H., Newby, R., Suyetin, M., … Schröder, M. (2016). CCDC 1043467: Experimental Crystal Structure Determination [Data set]. Cambridge Crystallographic Data Centre. https://doi.org/10.5517/ccdc.csd.cc140t76. DOI: 10.5517/ccdc.csd.cc140t76 HANDLE: 10754/624500
    • [Dataset]
      Savage, M., Da Silva, I., Johnson, M., Carter, J. H., Newby, R., Suyetin, M., … Schröder, M. (2016). CCDC 1440038: Experimental Crystal Structure Determination [Data set]. Cambridge Crystallographic Data Centre. https://doi.org/10.5517/ccdc.csd.cc1kbgv6. DOI: 10.5517/ccdc.csd.cc1kbgv6 HANDLE: 10754/624540
    • [Dataset]
      Savage, M., Da Silva, I., Johnson, M., Carter, J. H., Newby, R., Suyetin, M., … Schröder, M. (2016). CCDC 1440039: Experimental Crystal Structure Determination [Data set]. Cambridge Crystallographic Data Centre. https://doi.org/10.5517/ccdc.csd.cc1kbgw7. DOI: 10.5517/ccdc.csd.cc1kbgw7 HANDLE: 10754/624541
    • [Dataset]
      Savage, M., Da Silva, I., Johnson, M., Carter, J. H., Newby, R., Suyetin, M., … Schröder, M. (2016). CCDC 1440040: Experimental Crystal Structure Determination [Data set]. Cambridge Crystallographic Data Centre. https://doi.org/10.5517/ccdc.csd.cc1kbgx8. DOI: 10.5517/ccdc.csd.cc1kbgx8 HANDLE: 10754/624542
    • [Dataset]
      Savage, M., Da Silva, I., Johnson, M., Carter, J. H., Newby, R., Suyetin, M., … Schröder, M. (2016). CCDC 1440041: Experimental Crystal Structure Determination [Data set]. Cambridge Crystallographic Data Centre. https://doi.org/10.5517/ccdc.csd.cc1kbgy9. DOI: 10.5517/ccdc.csd.cc1kbgy9 HANDLE: 10754/624543
    • [Dataset]
      Savage, M., Da Silva, I., Johnson, M., Carter, J. H., Newby, R., Suyetin, M., … Schröder, M. (2016). CCDC 1440042: Experimental Crystal Structure Determination [Data set]. Cambridge Crystallographic Data Centre. https://doi.org/10.5517/ccdc.csd.cc1kbgzb. DOI: 10.5517/ccdc.csd.cc1kbgzb HANDLE: 10754/624544
    ae974a485f413a2113503eed53cd6c53
    10.1021/jacs.6b01323
    Scopus Count
    Collections
    Articles; Advanced Membranes and Porous Materials Research Center; Physical Science and Engineering (PSE) Division

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