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Table B.1.
Bands observed in the template spectra with their plausible assignments.
| Band designation (μm) | Assignments | PAH+ | PAH0 | eVSG | PAHx |
|---|---|---|---|---|---|
| Main peaks | |||||
| 3.3 | Aromatic C–H stretch | – | 3.29 | 3.29 | 3.30 |
| 6.2 | Aromatic C–C stretch | 6.20 | 6.20 | 6.27 | 6.27 |
| 7.7 complex | Aromatic C–C stretch | 7.61 | 7.61 | 7.91 | 7.85 |
| 8.6 | Aromatic C–H in-plane bend | 8.56 (8.52,8.60) | 8.60 | 8.58 | 8.65 |
| 11.2 | Aromatic C–H out-of-plane bend | 11.24 | 11.22 | 11.35 (11.32,11.38) | 11.25 |
| 12.7 | Aromatic C–H out-of-plane bend | 12.75 | 12.73 | – | 12.73 |
| Shoulders | |||||
| 3.3 | Aromatic C–H stretch | 3.24 | 3.24 | ||
| 6.2 | Aromatic C–C stretch | 6.22 | |||
| 7.7 complex | Aromatic C–C stretch | 7.52,7.76,7.88 | 7.53,7.77 | 7.72,8.06 | 7.65 |
| 8.6 | Aromatic C–H in-plane bend | 8.53 | |||
| 12.5 | Aromatic C–H out-of-plane bend | 12.53 | 12.50 | – | 12.50 |
| Minor bands | |||||
| 3.4 | Aliphatic C–H stretch | – | 3.40, 3.43 | [3.38−3.52] | [3.38−3.52] |
| 3.5 | Aliphatic C–H stretch, Combination bands | – | 3.47 | – | – |
| 3.5 | Aliphatic C–H stretch, Combination bands | – | 3.51 | – | – |
| 5.2 | Combination bands/aromatic | 5.23 | 5.26 | – | 5.24 |
| 5.7 | Combination bands/aromatic | 5.68 | 5.69 | 5.79 | 5.70 |
| 6.0 | – | – | – | 6.02 | 6.02 |
| 6.7 | Aromatic C–C stretch? | 6.66 | 6.73 | – | 6.62 |
| 6.9 | Aliphatic C–H deformation? | – | 6.92 | 6.88 | 6.87 |
| 7.0 | ? | – | – | 7.04 | 7.09 |
| 8.3 | Aromatic C–H in-plane bend? | 8.32 | 8.34 | 8.45 | 8.35 |
| 11.0 | Aromatic C–H out-of-plane bend | 11.03 | 11.02 | 11.09 | 11.07 |
| 11.5 | Aromatic C–H out-of-plane bend | – | – | 11.58,11.81 | – |
| 12.0 | Aromatic C–H out-of-plane bend | 11.92 | – | 11.96 | 11.97 |
| 12.0 | Aromatic C–H out-of-plane bend | 12.13 | – | 12.09 | – |
| 12.4 | Aromatic C–H out-of-plane bend | – | – | 12.42 | – |
| 13.5 | Aromatic C–H out-of-plane bend | 13.50 | 13.56 | 13.33,13.71 | 13.56 |
| 14.2 | Aromatic C–H out-of-plane bend | 14.18 | 14.25 | – | 14.25 |
| Plateaus | |||||
| 3.20−3.60 | – | Med | Med | Weak | |
| 6−9 | – | – | Strong | Med | |
| 11−13.50 | Med | – | Med | Weak | |
Notes. Values in italics correspond to mean value of complexes of two bands whose estimated peak positions are shown in parentheses. The sign “–” is used when no significant band could be extracted.
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