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. 2017 Mar 24;8(6):4318–4333. doi: 10.1039/c7sc00586e

Table 3. Transition energies and Franck–Condon integrals of transitions to different vibrational levels (‘vib’ level) of the 1Lb states of toluene, p-cresol and 3-methylindole and the 1La state of 3-methylindole. The vibrational level is denoted as MvN, where N is the assignment of the vibrational mode and M is the vibrational level of that mode. The C–C bend, C–H bend and C–C stretch mode are denoted as BCC, BCH and SCC, respectively.

‘vib’ level Energy/cm–1 FC integral
Toluene
0 37 310 0.59
1vBCC 37 830 –0.43
1vBCH 38 288 0.49
1vBCC/1vBCH 38 808 –0.35
2vBCH 39 266 0.26
1vBCC/2vBCH 39 786 –0.18
p-Cresol
0 34 965 0.52
1vBCC 35 810 0.58
1vBCH 36 221 0.17
2vBCC 36 655 0.45
1vBCH/1vBCC 37 066 0.18
3 BCC 37 500 0.28
1vBCH/2vBCC 37 911 0.14
4vBCC 38 345 0.14
3-Methylindole 1 L b
0 34 424 0.62
1vSCC 35 199 0.47
1vBCH 35 381 0.44
2vSCC 35 974 0.23
1vBCH/1vSCC 36 156 0.33
3vSCC 36 749 0.09
1vBCH/2vSCC 36 931 0.17
3-Methylindole 1 L a
0 35 088 0.57
1vSCC 35 872 0.53
1vBCH 36 135 0.32
2vSCC 36 656 0.34
1vSCC/1vBCH 36 919 0.30
3vSCC 37 440 0.18
1vSCC/2vBCH 37 966 0.19
4vSCC 38 224 0.08
1vSCC/3vBCH 39 013 0.10