F-), Cl-), I-) and (C60)nYCl
(Y=Li, Na, K) clusters
We model the clusters by a
Girifalco potential for the C60 intermolecular potential
along with a polarization potential,
which depends on the first non-vanishing C60 multipole
Pictures of the structure of the ion coordination compounds.
the some relevant structures of (C60)nX complexes.
Pictures of the structure of the
alkali chloride coordination compounds. fig6
the some relevant structures of (C60)nYCl
Points files for each
accessible from the Tables.
The work described on the above pages has been published in
Hernández-Rojas, J. Bretón, J.M. Gomez Llorente and D.J.
Wales, J. Chem. Phys. 121, 12315, (2004)
structures of (C60)nX (X=Li+,
clusters for n≤13
If you can improve on any of the results given in these pages email me,
and I will update the database.
Return to The
Cambridge Cluster Database.
J. Doye © 1996