Table 2
Analysis of the CH bonding characteristics of isolated hexa-cyclic molecules and the octa-cyclic molecule cyclooctatetraene.
| No. of distinct groups per molecule (per a-C(:H) substructure) | ||||||
|---|---|---|---|---|---|---|
| Adjacent | 3° | Aliphatic | ||||
| Aliphatic | Aliphatic | Aliphatic | Olefinic | Olefinic | Olefinic cis | |
| >CH2 | –CH2–CH2– | >CH– | =CH–CH2– | =C<H | H>C=C<H | |
| IR band(s) | 3.41-3.43asym. | 3.41-3.43asym. | 3.43-3.47 | 3.47, 3.53 | 3.31-3.34 | 3.31-3.34 |
| [μm] | 3.50-3.51sym. | 3.50-3.51sym. | ||||
| Cyclohexane | 6 (3) | 0 (3) | 0 (3) | |||
| Cyclohexene | 4 (1) | 0 (1) | 0 (3) | 2 (2) | 2 (2) | 1 (1) |
| 1,3-Cyclohexadiene | 2 (0) | 0 (2) | 2 (2) | 4 (3) | 2 (1) | |
| 1,4-Cyclohexadiene | 2 (0) | 4 (0) | 4 (3) | 2 (1) | ||
| Cyclooctatetraene | 8 (5) | 4 (2) | ||||
Notes. The numbers in brackets are for the analogous structures within a contiguous a-C(:H) network where three of the CH bonds have been replaced with network-linking C−C bonds (see Figs. 2 and 3). The assigned band positions are taken from experimental data (see Table 1 of Boutéraon et al. 2019), except for the 3.47 and 3.53 μm bands attributed to the olefinic-aliphatic group =CH–CH2– in this work.
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