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Theoretical transition energies, wavelengths and oscillator strengths of optically excited states for Co(AcAc)3 in ACN.
| Excited state (Singlet) | Symmetry | Energy | Oscillator strength | |
|---|---|---|---|---|
| (eV) | (nm) | |||
| 1 | 1 1A | 2.2250 | 557.23 | 0.0006 |
| 2 | 1 1E | 2.2854 | 542.51 | 0.0004 |
| 3 | 1 1E | 2.2876 | 541.98 | 0.0004 |
| 4 | 2 1A | 2.8762 | 431.07 | 0.0000 |
| 5 | 2 1E | 3.1103 | 398.62 | 0.0011 |
| 6 | 2 1E | 3.1118 | 398.43 | 0.0011 |
| 7 | 3 1E | 3.2884 | 377.04 | 0.0024 |
| 8 | 3 1E | 3.2916 | 376.66 | 0.0024 |
| 9 | 3 1A | 3.5876 | 345.59 | 0.0000 |
| 10 | 4 1E | 3.7985 | 326.40 | 0.0001 |
