Molecular Orbital Constants
Mol. Orbital |
B (eV) |
U (eV) |
N |
Q |
Double Ion. |
Special Calc. |
Remarks |
2σ |
167.91 |
360.49 |
2 |
1 |
No |
none |
none |
1π |
116.24 |
331.62 |
4 |
1 |
No |
none |
none |
3σ |
116.23 |
332.69 |
2 |
1 |
No |
none |
none |
4σ |
17.457 |
31.174 |
2 |
1 |
No |
none |
none |
5σ |
10.482 |
28.523 |
2 |
1 |
No |
none |
none |
2π |
7.89 |
21.287 |
1 |
1 |
No |
3p |
none |
B: Binding Energy
U: Average Kinetic Energy
N: Electron Occupation Number
Q: Dipole Constant
Double Ion.: Double Ionization Included
Special Calc.: Modified BEB theory (if appropriate)
|
ASCII Table of Molecular Orbital Constants
Chemical Structure and Data from the NIST Chemistry WebBook
|