Distortion of the Large Cages Encapsulating Cyclic Molecules and Empty Small Cages of Structure II Clathrate Hydrates

Satoshi Takeya, Saman Alavi, Shunsuke Hashimoto, Keita Yasuda, Yuji Yamauchi, Ryo Ohmura

研究成果: Article査読

36 被引用数 (Scopus)

抄録

Understandings of structure-based properties of porous materials, such as gas storage and gas separation performance, are important. Here, the crystal structures of the canonical structure II (sII) clathrate hydrates encapsulating cyclic molecules (tetrahydrofuran, cyclopentane, furan, and tetrahydropyran) are studied. To understand the effect of guest molecules on the host water framework, we performed powder X-ray diffraction measurements where the hydrate structures and guest distribution within 51264 cages were obtained by the direct-space technique followed by the Rietveld refinement. It was shown that the sizes of the 512 and 51264 cages of sII hydrates expand, as its unit-cell size is enlarged by the guest. In this process, it is revealed that the shape of 51264 cages with larger guest molecules became more spherical and volume ratio of empty small 512 cages in the unit cell decreases. Our findings from crystallographic point of view may give insights into better understanding of the thermodynamic stability and higher gas storage capacity of binary clathrate hydrates.

本文言語English
ページ(範囲)18134-18141
ページ数8
ジャーナルJournal of Physical Chemistry C
122
31
DOI
出版ステータスPublished - 2018 8月 9

ASJC Scopus subject areas

  • 電子材料、光学材料、および磁性材料
  • エネルギー一般
  • 物理化学および理論化学
  • 表面、皮膜および薄膜

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