Cluster | State | One-electron excitation | Composition | E (eV) (λ (nm)) | f |
(Trp)1 − (H2O)9 | S1 | 76.57% | H → L | 4.25 (291.78) | 0.0098 |
|
| 15.92% | H → L + 2 |
|
|
| S2 | 49.36% | H → L + 1 | 4.42 (280.46) | 0.0401 |
|
| 28.17% | H → L + 2 |
|
|
| S3 | 50.79% | H → L + 2 | 4.49 (276.30) | 0.0108 |
|
| 42.40% | H®L + 1 |
|
|
| S4 | 57.89% | H − 1 → L | 4.70 (263.93) | 0.0254 |
|
| 27.24% | H → L + 6 |
|
|
(T rp)2 − (H2O)18 | S1 | 82.11% | H − 1 → L + 1 | 4.28 (289.72) | 0.0129 |
|
| 13.55% | H − 1 → L + 2 |
|
|
| S3 | 89.81% | H → L + 2 | 4.41 (280.98) | 0.0491 |
|
| 3.43% | H − 2 → L + 11 |
|
|
| S5 | 78.07% | H − 1 → L + 1 | 4.48 (276.78) | 0.0429 |
|
| 11.68% | H − 1 → L |
|
|
| S8 | 49.41% | H − 3 → L | 4.67 (265.70) | 0.0231 |
|
| 20.70% | H − 1 → L + 9 |
|
|
(T rp)3 − (H2O)27 | S1 | 81.87% | H − 2 → L | 4.30 (288.34) | 0.0449 |
|
| 4.53% | H − 2 → L + 4 |
|
|
| S2 | 70.52% | H − 1 → L + 1 | 4.33 (286.52) | 0.0500 |
|
| 19.78% | H − 1 → L |
|
|
| S3 | 55.93% | H → L + 3 | 4.36 (284.55) | 0.0323 |
|
| 19.37% | H → L |
|
|
| S6 | 62.71% | H → L + 6 | 4.47 (277.14) | 0.0263 |
|
| 14.43% | H → L + 3 |
|
|
| S7 | 52.06% | H − 2 → L + 2 | 4.48 (276.70) | 0.0239 |
|
| 27.18% | H − 2 → L + 5 |
|
|
| S15 | 40.72% | H − 4 → L | 4.69 (264.26) | 0.0391 |
|
| 18.65% | H − 2 → L + 13 |
|
|
(T rp)4 − (H2O)36 | S1 | 64.34% | H → L + 3 | 4.12 (300.83) | 0.0133 |
|
| 24.66% | H → L + 2 |
|
|
| S3 | 34.85% | H − 1 → L + 4 | 4.32 (286.69) | 0.0203 |
|
| 24.59% | H − 1 → L |
|
|
| S5 | 89.95% | H − 3 → L | 4.39 (282.47) | 0.0480 |
| S6 | 82.94% | H − 2 → L + 1 | 4.40 (281.78) | 0.0711 |