Selective occupancy of methane by cage symmetry in TBAB ionic clathrate hydrate

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DOIResolve DOI: http://doi.org/10.1039/C6CC00264A
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TypeArticle
Journal titleChemical Communications
ISSN1359-7345
1364-548X
Volume52
Issue32
Pages56215624
AbstractMethane trapped in the two distinct dodecahedral cages of the ionic clathrate hydrate of TBAB was studied by single crystal XRD and MD simulation. The relative CH₄ occupancies over the cage types were opposite to those of CO₂, which illustrates the interplay between the cage symmetry and guest shape and dynamics, and thus the gas selectivity.
Publication date
PublisherRoyal Society of Chemistry
LanguageEnglish
AffiliationNational Research Council Canada; Security and Disruptive Technologies
Peer reviewedYes
NPARC number23000366
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Record identifier0fc1052f-9f3f-4a56-bbdb-f18a1e1a0919
Record created2016-07-11
Record modified2016-07-11
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