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

DOI	Resolve DOI: https://doi.org/10.1039/C6CC00264A
Author	Search for: Muromachi, Sanehiro; Search for: Udachin, Konstantin A.¹; Search for: Alavi, Saman²; Search for: Ohmura, Ryo; Search for: Ripmeester, John A.²
Name affiliation	National Research Council Canada National Research Council Canada. Security and Disruptive Technologies
Format	Text
Type	Article
Journal title	Chemical Communications
ISSN	1359-7345 1364-548X
Volume	52
Issue	32
Pages	5621–5624
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	2016-03-17
Publisher	Royal Society of Chemistry
Language	English
Peer reviewed	Yes
NPARC number	23000366
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Record identifier	0fc1052f-9f3f-4a56-bbdb-f18a1e1a0919
Record created	2016-07-11
Record modified	2020-03-16