C2-insertion into a fullerene orifice

Chem Commun (Camb). 2023 Feb 7;59(12):1645-1648. doi: 10.1039/d2cc06531b.

Abstract

The embedment of a Cn-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 H2O molecule.