Observation of Binding and Rotation of Methane and Hydrogen within a Functional Metal–Organic Framework
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Type
ArticleAuthors
Savage, Mathewda Silva, Ivan
Johnson, Mark
Carter, Joseph H.
Newby, Ruth
Suetin, Mikhail

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 CenterPhysical Science and Engineering (PSE) Division
Date
2016-07-13Online Publication Date
2016-07-13Print Publication Date
2016-07-27Permanent link to this record
http://hdl.handle.net/10754/618996
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Show full item recordAbstract
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 SocietySponsors
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)Additional Links
http://pubs.acs.org/doi/abs/10.1021/jacs.6b01323Relations
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