Table 2. Summary of Vertical Excitation Energies, ΔE, Oscillator Strengths, f, and Characters of the Sn ← S0 (n = 1, 2, 3) States As Evaluated at the ωB97X-D/ma-def2-SV(P) and ADC(2)/MP2/ma-def2-SV(P) Levels.
ωB97X-D |
ADC(2) |
||||
---|---|---|---|---|---|
State | Char. | ΔE (eV) | f | ΔE (eV) | f |
S1 | ππ* | 4.272 | 0.256 | 3.533 | 0.156 |
S2 | nπ* | 4.357 | 0.010 | 3.701 | 0.004 |
S3 | ππ* | 4.756 | 0.365 | 4.120 | 0.273 |