The energies and point groups (PG) of the lowest energy minima of (C_{60})_{n} Ca^{2+} 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} |
-4.06278 |
2 |
D_{inftyh} | -6.82962 |
3 |
D_{3h} | -8.63953 |
4 |
T_{d} | -9.69459 |
5 |
C_{3v} | -10.65115 |
6 |
C_{2v} | -11.60481 |
7 |
C_{2v} | -12.76216 |
8 |
C_{s} | -13.71017 |
9 |
C_{2v} | -14.84013 |
10 |
C_{3v} | -15.92627 |
11 |
C_{s} | -16.98252 |
12 |
C_{s} | -18.11441 |
13 |
C_{s} | -19.27842 |