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

From National Research Council Canada

DOIResolve DOI: https://doi.org/10.1039/C6CC00264A
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Name affiliation
  1. National Research Council of Canada
  2. National Research Council of Canada. Security and Disruptive Technologies
FormatText, Article
Journal titleChemical Communications
ISSN1359-7345
1364-548X
Volume52
Issue32
Pages5621–5624
Abstract
Methane 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
Peer reviewedYes
NPARC number23000366
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Record created2016-07-11
Record modified2020-03-16
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