Table 1.
The C–C bond dissociation energy (kJ/mol) in the main chain of trimers.
| Trimer | C1–C2 | C2–C3 | C3–C4 | C4–C5 | C5–C6 | C6–C7 | C7–C8 | C8–C9 | C9–C10 | C10–C11 | C11–C12 |
|---|---|---|---|---|---|---|---|---|---|---|---|
| CCC | 429.4 | 711.8 | 420.7 | 221.4 | 420.5 | 712.7 | 420.5 | 220.6 | 420.7 | 711.8 | 429.4 |
| CDC | 428.6 | 715.6 | 416.6 | 233.1 | 421.2 | 719.9 | 422.4 | 236.7 | 416.7 | 716.4 | 428.6 |
| DCD | 434.1 | 718.9 | 424.4 | 232.5 | 417.1 | 715.5 | 415.9 | 235.3 | 424.6 | 721.0 | 435.7 |
| DDD | 435.9 | 721.3 | 426.2 | 235.4 | 421.0 | 719.6 | 423.2 | 236.1 | 421.5 | 719.9 | 434.0 |
| CAC | 427.5 | 714.0 | 409.6 | 229.3 | 300.0 | 292.1 | 413.0 | 716.3 | 428.1 | ||
| CBC | 417.2 | 703.2 | 402.8 | 210.6 | 282.5 | 289.5 | 403.3 | 703.3 | 416.9 | ||
| DAD | 435.8 | 720.2 | 417.3 | 231.7 | 299.5 | 294.2 | 420.3 | 720.8 | 435.6 | ||
| DBD | 435.9 | 718.7 | 422.4 | 220.3 | 287.8 | 302.3 | 428.5 | 720.4 | 439.5 | ||
| ACA | 316.8 | 300.1 | 413.8 | 713.9 | 412.9 | 235.9 | 319.1 | ||||
| ADA | 316.0 | 302.6 | 422.1 | 720.6 | 420.9 | 238.7 | 320.2 | ||||
| BCB | 305.7 | 303.0 | 413.2 | 713.6 | 414.9 | 223.5 | 306.1 | ||||
| BDB | 305.4 | 303.3 | 425.5 | 718.9 | 419.4 | 223.5 | 303.6 | ||||
| AAA | 317.0 | 307.0 | 301.9 | 300.5 | 316.0 | ||||||
| ABA | 311.3 | 278.3 | 276.1 | 290.3 | 307.0 | ||||||
| BAB | 290.0 | 283.0 | 281.4 | 277.7 | 296.3 | ||||||
| BBB | 292.2 | 268.9 | 269.6 | 278.5 | 294.0 |