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

Sanehiro Muromachi, Konstantin A. Udachin, Saman Alavi, Ryo Ohmura, John A. Ripmeester

Research output: Contribution to journalArticle

21 Citations (Scopus)


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.

Original languageEnglish
Pages (from-to)5621-5624
Number of pages4
JournalChemical Communications
Issue number32
Publication statusPublished - 2016 Apr 25


ASJC Scopus subject areas

  • Chemistry(all)
  • Catalysis
  • Ceramics and Composites
  • Electronic, Optical and Magnetic Materials
  • Surfaces, Coatings and Films
  • Materials Chemistry
  • Metals and Alloys

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