Table 1. The calculated vertical excitation energies (nm) and corresponding oscillator strengths for C7 and C30 hydrogen-bonded complexes.
| Molecule | C7–ACN | C7–MeOH | C30–ACN | C30–MeOH |
|---|---|---|---|---|
| S1 | 423(0.763) | 425(0.759) | 397(0.833) | 404(0.806) |
| H → L98.9% | H → L98.8% | H → L98.2% | H → L98.3% | |
| S2 | 332(0.013) | 332(0.009) | 323(0.007) | 329(0.008) |
| S3 | 317(0.006) | 318(0.005) | 313(0.005) | 317(0.002) |
| S4 | 305(0.030) | 306(0.056) | 299(0.021) | 302(0.072) |
| S5 | 295(0.165) | 297(0.164) | 292(0.120) | 295(0.110) |
| S6 | 273(0.024) | 292(0.003) | 273(0.015) | 281(0.002) |