The energies and point groups (PG) of the lowest energy minima of (C_{60})_{n} I^{-} found for n≤13.
The unit of energy is in eV and the unit of distance is the effective radius R_{f} (R_{f}=4.75 Angstrom).
Click on a label to obtain the
Cartesian coordinates of a minimum.
n |
PG |
Energy |
1 |
C_{inftyv} |
-0.34475 |
2 |
C_{2v} | -0.88408 |
3 |
C_{3v} | -1.64977 |
4 |
C_{3v} | -2.50821 |
5 |
C_{s} | -3.36564 |
6 |
O_{h} | -4.39726 |
7 |
C_{s} | -5.33089 |
8 |
C_{2v} | -6.25417 |
9 |
D_{3h} | -7.41426 |
10 |
C_{1} | -8.29826 |
11 |
C_{s} | -9.41384 |
12 |
C_{s} | -10.53818 |
13 |
C_{2v} | -11.69736 |