Structure and electronic properties of fullerenes C(52)q+: is C(52)2+ an exception to the pentagon adjacency penalty rule?

@article{DazTendero2005StructureAE,
  title={Structure and electronic properties of fullerenes C(52)q+: is C(52)2+ an exception to the pentagon adjacency penalty rule?},
  author={Sergio D{\'i}az-Tendero and Fernando Mart{\'i}n and Manuel Alcam{\'i}},
  journal={Chemphyschem : a European journal of chemical physics and physical chemistry},
  year={2005},
  volume={6 1},
  pages={92-100}
}
The structure, vibrational spectra and electronic properties of the neutral, singly and doubly charged C52 fullerenes were studied by means of the Hartree-Fock method and density functional theory. Different isomers were considered, in particular those with the lowest possible number (five or six) of adjacent pentagons, and an isomer with a four-atom ring. For neutral and singly charged species, the most stable isomer is that with the lowest number of adjacent pentagons, namely five. However… CONTINUE READING