Table 4.
excitation type | energy (eV) | λ (nm) | f | major contribution |
---|---|---|---|---|
(a) Excitation Energies and Oscillator Strengths of ZnBTC in the Gas Phase | ||||
So → S1 | 4.7213 | 262.6 | 0.0173 | 135 → 141 (45.67%) |
143 → 141 (6.35%) | ||||
132 → 144 (4.30%) | ||||
So → S2 | 5.0831 | 243.91 | 0.0066 | 139 → 140 (85.48%) |
139 → 145 (5.71%) | ||||
139 → 146 (4.30%) | ||||
So → S3 | 5.1519 | 240.66 | 0.0274 | 133 → 141 (14.48%) |
135 → 144 (13.04%) | ||||
132 → 149 (2.66%) | ||||
So → S4 | 5.1849 | 239.12 | 0.0731 | 132 → 144 (2.77%) |
133 → 141 (12.67%) | ||||
133 → 144 (6.20%) | ||||
So → S5 | 5.1932 | 238.75 | 0.1169 | 134 → 144 (27.71%) |
133 → 141 (24.25%) | ||||
132 → 143 (3.44%) | ||||
(b) Excitation Energies and Oscillator Strengths of ZnBTC in the Solvent | ||||
So → S1 | 4.8631 | 254.95 | 0.0045 | 137 → 140 (30.81%) |
138 → 141 (20.58%) | ||||
137 → 141 (17.32%) | ||||
So → S2 | 131 → 140 (60.36%) | |||
130 → 140 (13.33%) | ||||
131 → 152 (5.72%) | ||||
So → S3 | 137 → 140 (30.31%) | |||
138 → 140 (11.94%) | ||||
138 → 141 (12.12%) | ||||
So → S4 | 134 → 141 (36.88%) | |||
133 → 141 (12.25%) | ||||
133 → 140 (5.29%) | ||||
So → S5 | 132 → 141 (19.93%) | |||
133 → 141 (16.84%) | ||||
134 → 140 (9.26%) |