The stability of charged fullerenes is not as well understood as that of their neutral counterparts, with, for example, more frequent violations of the isolated-pentagon and pentagon-adjacency penalty rules. Now, a simple model based on the concepts of cage connectivity and frontier π orbitals predicts the relative stability of cationic and anionic fullerene isomers.
- Yang Wang
- Sergio Díaz-Tendero
- Fernando Martín
