Endohedral clusterization of ten water molecules into a "molecular ice" within the hydrophobic pocket of a self-assembled cage

Yoshizawa, Michito*; Kusukawa, Takahiro*; Kawano, Masaki*; Ohara, Takashi ; Tanaka, Ichiro*; Kurihara, Kazuo; Niimura, Nobuo*; Fujita, Makoto*

An adamantanoid (H $_{2}$ O)10 cluster is formed within the hydrophobic cavity of a self-assembled coordination cage. This cluster is termed "molecular ice" because it is the smallest unit of naturally occurring Ic-type ice. X-ray structural analysis, coupled with neutron diffraction study, reveals that the molecular ice is formed not by a simple space-filling effect but by efficient molecular recognition within the cage via H $_{2}$ O:...pi interaction.

Language	:	English
Journal	:	Journal of the American Chemical Society
Volume	:	127
Number	:	9
Pages	:	p.2798 - 2799
Publication Year/Month	:	2005/03
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Patent information	:
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Paper URL	:	https://doi.org/10.1021/ja043953w
DOI for research data	:
Keywords	:	Neutron Diffraction; BIX-4; Molecular Ice; Water Cluster; Self-assembled Coordination Cage
Research Facility	:	JRR-3M(研究炉3)
Press Release	:
Article of JAEA R&D Review	:
Cooperating Institute	:	東京大学

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Registration No. : A20050040
JAEA Abstracts No. :
Paper Submission No. : 4256

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