Table of (C60)nI- clusters

The energies and point groups (PG) of the lowest energy minima of (C60)n I-  found for n≤13.

The unit of energy is in eV and the unit of distance is the effective radius Rf (Rf=4.75 Angstrom).

Click on a label to obtain the Cartesian coordinates of a minimum.
 


n
PG
Energy
1
Cinftyv
-0.34475
2
C2v -0.88408
3
C3v -1.64977
4
C3v -2.50821
5
Cs -3.36564
6
Oh -4.39726
7
Cs -5.33089
8
C2v -6.25417
9
D3h -7.41426
10
C1 -8.29826
11
Cs -9.41384
12
Cs -10.53818
13
C2v -11.69736


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J. Doye © 1997