サイエンス記事
COハイドレートにおけるゲスト分子の不規則配置
キーワード:
CO clathrate hydrate,
TOF neutron powder diffraction,
maximum-entropy method,
positional disorder
2015 年 25 巻 1 号 p. 22-25
詳細
2015 年 25 巻 1 号 p. 22-25
CO molecules taken up in clathrate hydrates with structures I and II show highly disordered arrangements, which are hard to analyze by classical methods for structure refinement adopting split-atom models. Rietveld refinements followed by maximum entropy method analyses from TOF neutron powder diffraction data of CO clathrate hydrates made it possible to visualize doughnut- and die-like distributions of CO molecules in 512 and 51264 cages, respectively.
