Table 4. Relative Energies (eV) in Multistate Energy Decomposition Analysis of the Lowest Singlet and Triplet Excited States in the Acetone Excimer and Acetone-Methyl Vinyl Ether (MVE) Exciplexa.
| (X)···(Y) | (Me2C=O)···(Me2C=O) |
(Me2C=O)···(MVE) |
||||||
|---|---|---|---|---|---|---|---|---|
| energy terms | S1 | S2 | T1 | T2 | S1 | S2 | T1 | T2 |
| hν̅oK | 3.80 | 4.39 | 3.53 | 4.08 | 3.79 | 6.20 | 3.53 | 4.39 |
| ΔErefK | 2.96 | 4.35 | 2.69 | 4.05 | 3.00 | 6.70 | 2.74 | 4.40 |
| ΔELint | 0.62 | 0.62 | 0.62 | 0.62 | 0.64 | 0.64 | 0.64 | 0.64 |
| ΔEExK | 2.96 | 4.35 | 2.69 | 4.05 | 3.00 | 6.70 | 2.74 | 4.40 |
| ΔΔEResK | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 |
| ΔΔESEK | –0.06 | –0.12 | –0.05 | –0.12 | 0.00 | –1.03,b 0.04 | 0.00 | 0.00 |
| ΔΔEOCDK | 0.01 | –0.19 | –0.04 | –0.09 | –0.01 | –0.55,b −0.11 | 0.01 | –0.53 |
| ΔΔELCTS0 | –0.07 | –0.07 | –0.07 | –0.07 | –0.09 | –0.09 | –0.09 | –0.09 |
| ΔEb | –0.27 | 0.27 | –0.41 | 0.38 | –0.16 | –0.44,b 1.07 | –0.14 | 0.12 |