Table 7. Computed Nature, Excitation Energies (ΔE, in eV), Oscillator Strengths (f), and Electric Dipole Moments (μ, in D) for the Lowest Electronic States in Tryptophan.
State | Nature | ΔECASPT2 | f | μ |
---|---|---|---|---|
S0 | 83.3%... | ... | ... | 6.627 |
S1 | 66.8% πr πr* | 4.3324 | 0.0177 | 6.023 |
4.42 | ||||
S2 | 58.1%πr πr* | 4.77 | 0.0672 | 9.684 |
S3 | 46.8% nCOπCO* | 5.71 | 0.0358 | 5.808 |
S4 | 69.8% nCOπCO* | 5.71 | 0.002 | 5.039 |