Molecular Orbital Constants
Mol. Orbital |
B (eV) |
U (eV) |
N |
Q |
Double Ion. |
Special Calc. |
Remarks |
2a1 |
166.74 |
359.73 |
2 |
1 |
No |
none |
none |
1f2 |
115.20 |
331.82 |
6 |
1 |
No |
none |
none |
3a1 |
19.921 |
28.986 |
2 |
1 |
No |
none |
none |
2f2 |
11.65 |
22.782 |
6 |
1 |
No |
none |
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
|