MO | ε(MO) | Transition | Eex | Eg | Eg − Eex | ESOP |
Lawsone dye in vacuum | ||||||
41, H-4 | −7.46 | H-4 → L | 4.45 | 4.58 | 0.13 | −3.01 |
44, H-1 | −7.02 | H-1 → L + 1 | 5.40 | 6.00 | 0.60 | −1.62 |
46, L | −2.88 |
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47, L + 1 | −1.02 |
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Lawsone dye in chloroform | ||||||
42, H-3 | −7.49 | H-3 → L | 4.38 | 4.51 | 0.13 | −3.11 |
45, H | −6.99 | H → L | 3.27 | 4.01 | 0.74 | −3.72 |
46, L | −2.98 |
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47, L + 1 | −1.02 | H → L + 1 | 5.39 | 5.97 | 0.58 | −1.6 |
Indoline D131 in vacuum | ||||||
134, H | −5.11 | H → L | 2.77 | 3.01 | 0.24 | −2.34 |
135, L | −2.10 |
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Indoline D131 in chloroform | ||||||
133, H-1 | −5.90 | H-1 → L | 3.28 | 3.58 | 0.30 | −2.62 |
134, H | −5.12 | H → L | 2.60 | 2.80 | 0.20 | −2.52 |
135, L | −2.32 |
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Complex molecule in vacuum | ||||||
174, H | −5.18 | H → L | 1.89 | 2.2 | 0.31 | −3.29 |
175, L | −2.98 |
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176, L + 1 | −2.18 | H → L + 1 | 2.76 | 3.0 | 0.24 | −2.42 |
Complex molecule in chloroform | ||||||
173, H-1 | −5.89 | H-1 → L + 1 | 3.20 | 3.48 | 0.28 | −2.69 |
174, H | −5.15 | H → L | 1.52 | 1.7 | 0.18 | −3.63 |
175, L | −3.45 |
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176, L + 1 | −2.41 | H → L + 1 | 2.54 | 2.74 | 0.20 | −2.61 |