Abstract

In the point of a demonstration of its fundamental properties compared with bulk water,a single water molecule within a confined subnano space is one of the important topics in both material and life sciences. However, a single molecule of H2O, that is completely isolated without any hydrogen bonds, is rare so far because water usually exists in hydrogen-bonded environments.The inner space of the fullerene C60 is suitable to entrap a water molecule.It would be possible to control the properties of the outer carbon cage as well as to study the isolated specieswhen atoms or molecules are encapsulated in fullerenes.Endohedral fullerenes encapsulating a wide variety of species, such as metal ions and rare gases, have been synthesized with physical methods under harsh conditions. However, these methods are not suitable to obtain endohedral fullerenes encapsulating small molecules.

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