A New Route to an Endohedral Fullerene by Way of σ-Framework Transformations

The molecular surgical approach has been shown to be applicable to preparation of an endohedral fullerene. Thus, an orifice large enough to insert an atom or molecule has been constructed on the surface of fullerene C60. The orifice has been enlarged to a 13-membered ring by insertion of a sulfur atom on the rim, and 100% encapsulation of molecular hydrogen has been attained. Then, the size reduction of the orifice, without the loss of incorporated hydrogen, and complete closure of the orifice have been achieved to afford a new endohedral fullerene, H2@C60.