Electronic stucture of methane hydrate studied by Compton scattering

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DOIResolve DOI: http://doi.org/10.1103/PhysRevB.73.195104
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TypeArticle
Journal titlePhys. Rev. B
Physical Review B (Condensed Matter and Materials Physics)
Volume73
Issue19
Pages1951046; # of pages: 195099
Subjectband structure; Compton effect; liquids; organic compounds
AbstractHigh-resolution Compton scattering spectra of methane, methane hydrate, and ice were measured using incident photon energy of 56.4 keV at beamline ID15B of the European Synchrotron Radiation Facility. The experimental Compton profiles are compared to calculations employing density-functional theory using model atomic clusters. The hydrate has a cagelike structure built up from water molecules and the related Compton profile is observed to change apparently when compared to hexagonal ice. Furthermore, the influence of the guest-host interactions between the methane molecules and the water molecules of the cages on the Compton profile is discussed.
Publication date
AffiliationNational Research Council Canada; NRC Steacie Institute for Molecular Sciences
Peer reviewedNo
NPARC number12330184
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Record identifiere53016da-b22d-4cfb-94c9-bd846bbdde53
Record created2009-09-10
Record modified2016-05-09
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