Table 1. Experimental vertical detachment energies (VDE) from the photoelectron spectra of La2B7– and La2B9– in comparison with theoretical VDEs computed from the global minimum inverse sandwiches a .
| Feature | VDE b (exp) | Final state and electronic configuration | VDE (theo.) |
| La 2 B 7 – (D 7h , 3 A 2 ′) | |||
| X | 1.35(3) | 2E2′′, {…1e2′21e3′43a2′′24a1′22e1′′43e1′41e2′′1} | 1.40 |
| A | 2.22(3) | 2E1′, {…1e2′21e3′43a2′′24a1′22e1′′43e1′31e2′′2} | 2.31 |
| 4E1′, {…1e2′21e3′43a2′′24a1′22e1′′43e1′31e2′′2} | 2.33 | ||
| B | 2.81(4) | 4E1′′, {…1e2′21e3′43a2′′24a1′22e1′′33e1′41e2′′2} | 2.77 |
| C | 3.42(3) | 2E1′′, {…1e2′21e3′43a2′′24a1′22e1′′33e1′41e2′′2} | 3.28 |
| D | ∼3.8 | 4A1′′, {…1e2′21e3′43a2′′14a1′22e1′′43e1′41e2′′2} | 3.47 |
| 2A2′, {…1e2′21e3′43a2′′24a1′12e1′′43e1′41e2′′2} | 3.91 | ||
| 4A2′, {…1e2′21e3′43a2′′24a1′12e1′′43e1′41e2′′2} | 3.93 | ||
| 2A1′′, {…1e2′21e3′43a2′′14a1′22e1′′43e1′41e2′′2} | 4.01 | ||
| E | 4.47(4) | 2E3′, {…1e2′21e3′33a2′′24a1′22e1′′43e1′41e2′′2} | 4.44 |
| 4E3′, {…1e2′21e3′33a2′′24a1′22e1′′43e1′41e2′′2} | 4.46 | ||
| 4E2′, {…1e2′11e3′43a2′′24a1′22e1′′43e1′41e2′′2} | 7.22 | ||
| 2E2′, {…1e2′11e3′43a2′′24a1′22e1′′43e1′41e2′′2} | 7.36 | ||
| La 2 B 9 – (D 9h , 1 A 1 ′) | |||
| X | 2.04(7) | 2E1′′, {…1a2′24e1′43a2′′25a1′25e1′42e1′′43e1′′3} | 1.98 |
| A | 3.09(9) | 2E1′′, {…1a2′24e1′43a2′′25a1′25e1′42e1′′33e1′′4} | 3.08 |
| B | 3.38(7) | 2E1′, {…1a2′24e1′43a2′′25a1′25e1′32e1′′43e1′′4} | 3.44 |
| C | 4.09(7) | 2A1′, {…1a2′24e1′43a2′′25a1′15e1′42e1′′43e1′′4} | 3.96 |
| D | 4.33(5) | 2A2′, {…1a2′24e1′43a2′′15a1′25e1′42e1′′43e1′′4} | 4.24 |
| E | 4.94(4) | 2E1′, {…1a2′24e1′33a2′′25a1′25e1′42e1′′43e1′′4} | 4.63 |
| F | ∼6.0 | 2A2′, {…1a2′14e1′43a2′′25a1′25e1′42e1′′43e1′′4} | 6.43 |
aAll energies are in eV.
bThe numbers in the parentheses represent the uncertainty in the last digit.