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

DOI: 10.1021/jacs.6b01323 DOI Help

Authors: Mathew Savage (University of Nottingham) , Ivan Da Silva (ISIS Facility, STFC Rutherford Appleton Laboratory) , Mark Johnson (ILL Neutron Facility) , Joseph H. Carter (University of Nottingham) , Ruth Newby (University of Nottingham) , Mikhail Suyetin (University of Nottingham) , Elena Besley (University of Nottingham) , Pascal Manuel (ISIS Facility, STFC Rutherford Appleton Laboratory) , Svemir Rudić (ISIS Facility, STFC Rutherford Appleton Laboratory) , Andrew N. Fitch (European Synchrotron Radiation Facility) , Claire Murray (Diamond Light Source) , William David (ISIS Facility, STFC Rutherford Appleton Laboratory) , Sihai Yang (University of Nottingham; School of Chemistry, University of Mancheste) , Martin Schroeder (School of Chemistry, University of Mancheste)
Co-authored by industrial partner: No

Type: Journal Paper
Journal: Journal Of The American Chemical Society , VOL 138 , PAGES 9119 - 9127

State: Published (Approved)
Published: July 2016
Diamond Proposal Number(s): 5839

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.

Subject Areas: Chemistry

Instruments: I11-High Resolution Powder Diffraction

Other Facilities: European Synchrotron Radiation Facility (Beamline ID31)

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