C2-insertion into a fullerene orifice.

The embedment of a C n -unit into a carbon network constituting fullerene(s) potentially enables a cage-expansion. Herein, we report a C2-insertion into a fullerene orifice in which the mechanism was examined computationally. The C2-embedded open-[60]fullerene possesses an orifice enlarged from an octagon to a decagon, while the inner space was notably expanded as confirmed by the dynamic motion of the incarcerated H 2 O molecule.