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Full Record Details
Persistent URL
http://purl.org/net/epubs/work/66281
Record Status
Checked
Record Id
66281
Title
High-Resolution Inelastic Neutron Scattering and Neutron Powder Diffraction Study of the Adsorption of Dihydrogen by the Cu(II) Metal-Organic Framework Material HKUST-1
Contributors
SK Callear (STFC Rutherford Appleton Lab.)
,
AJ Ramirez-Cuesta (STFC Rutherford Appleton Lab.)
,
WI David (STFC Rutherford Appleton Lab.)
,
F Millange
,
RI Walton
Abstract
We present new high-resolution inelastic neutron scattering (INS) spectra (measured using the TOSCA and MARI instruments at ISIS) and powder neutron diffraction data (measured on the diffractometer WISH at ISIS) from the interaction of the prototypical metal-organic framework HKUST-1 with various dosages of dihydrogen gas. The INS spectra show direct evidence for the sequential occupation of various distinct sites for dihydrogen in the metal-organic framework, whose population is adjusted during increasing loading of the guest. The superior resolution of TOSCA reveals subtle features in the spectra, not previously reported, including evidence for split signals, while complementary spectra recorded on MARI present full information in energy and momentum transfer. The analysis of the powder neutron patterns using the Rietveld method shows a consistent picture, allowing the crystallographic indenisation of binding sites for dihydrogen, thus building a comprehensive picture of the interaction of the guest with the nanoporous host.
Organisation
ISIS
,
ISIS-MARI
,
ISIS-TOSCA
,
ISIS-WISH
,
STFC
Keywords
ISIS 2013
Funding Information
Related Research Object(s):
Licence Information:
Language
English (EN)
Type
Details
URI(s)
Local file(s)
Year
Journal Article
Chem Phys
427 (2013): 9-17.
doi:10.1016/j.chemphys.2013.07.020
2013
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