Table 4. Dimerization energies (ΔE d) and free energies (ΔG 298.15 K) for DA5 and DA11 in three types of carboxyl dimer in different media.
| Diacid | Conditions | Type | ΔE d (kJ mol−1) | ΔG 298.15k (kJ mol−1) |
|---|---|---|---|---|
| DA5 | Gas phase | I | −67.72 | −12.01 |
| II-1 | −65.03 | −9.03 | ||
| II-2 | −67.17 | −9.90 | ||
| Ethanol | I | −35.46 | 14.32 | |
| II-1 | −31.75 | 17.33 | ||
| II-2 | −33.42 | 24.27 | ||
| 1,4-Dioxane | I | −57.49 | 4.58 | |
| II-1 | −55.77 | 1.64 | ||
| II-2 | −57.64 | 0.98 | ||
| DA11 | Gas-phase | I | −67.04 | −15.41 |
| II-1 | −64.57 | −12.82 | ||
| II-2 | −66.88 | −3.65 | ||
| Ethanol | I | −35.38 | 10.25 | |
| II-1 | −33.65 | 14.09 | ||
| II-2 | −33.96 | 16.57 | ||
| 1,4-Dioxane | I | −57.02 | 2.90 | |
| II-1 | −56.15 | 2.38 | ||
| II-2 | −58.13 | 1.87 |