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A single molecule of water encapsulated in fullerene C₆₀
Kei Kurotobi1, Yasujiro Murata
1Institute for Chemical Research, Kyoto University, Uji, Kyoto 611-0011, Japan.
Abstract:
Water normally exists in hydrogen-bonded environments, but a single molecule of H(2)O without any hydrogen bonds can be completely isolated within the confined subnano space inside fullerene C(60). We isolated bulk quantities of such a molecule by first synthesizing an open-cage C(60) derivative whose opening can be enlarged in situ at 120°C that quantitatively encapsulated one water molecule under the high-pressure conditions. The relatively simple method was developed to close the cage and encapsulate water. The structure of H(2)O@C(60) was determined by single-crystal x-ray analysis, along with its physical and spectroscopic properties.
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