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. 2021 Oct 21;6(43):28967–28982. doi: 10.1021/acsomega.1c04037

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%)
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