Metastable isomers of Krn+ clusters
Colours of atoms correspond to the
mean charges they carry:
0.0 e - 0.125 e - 0.25 e - 0.375 e - 0.5 e
Kr3+
DIM + SO
|
DIM + SO + ID-ID
|
|||||
Structure
|
Energy
[meV] |
Structure
|
Energy
[meV] |
|||
1 |
|
|||||
2
|
+127
|
+152
|
Kr4+
DIM + SO
|
DIM + SO + ID-ID
|
|||||
Structure
|
Energy
[meV] |
Structure
|
Energy
[meV] |
|||
1 |
|
|||||
2
|
+20.3
|
+3.3 |
||||
3 | +101 | +138 |
Kr5+
DIM + SO
|
DIM + SO + ID-ID
|
|||||
Structure
|
Energy
[meV] |
Structure
|
Energy
[meV] |
|||
1 |
|
|||||
2
|
+1.0
|
+0.6 |
||||
3 | +33.6 | +6.33 | ||||
4 | +45.2 | +14.7 | ||||
5 | +48.7 | +46.7 | ||||
6 | +93.0 | +131 | ||||
7 | +99.5 | - | - | - |
Kr6+
DIM + SO
|
DIM + SO + ID-ID
|
|||||
Structure
|
Energy
[meV] |
Structure
|
Energy
[meV] |
|||
1 |
|
|
||||
2
|
+1.7
|
+6.3 |
||||
3 | +2.3 | +7.0 | ||||
4 | +3.8 | +10.3 | ||||
5 | +32.2 | +17.1 | ||||
6 | +32.6 | +18.6 | ||||
7 | +48.1 | +24.5 | ||||
8 | +52.0 | +63.9 | ||||
9 | +59.0 | +133 | ||||
10 | +87.1 | - | - | - | ||
11 | +121 | - | - | - |
Research CPG home |
last update:
28 August, 2003
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