Chemical Physics Letters, Vol.710, 147-149, 2018
Computed stabilization for a giant fullerene endohedral: Y2C2@C-1(1660)-C-108
The very recently prepared clusterfullerene Y2C2@C-1(1660)-C-108 is computed and the observed structural features are confirmed, including the quasi-linear arrangement of the encapsulate and its near-triple CC bond. Its stability is explained by sizeable encapsulation energy. The endohedral stability is evaluated at both DFT and MP2 levels.