Table 2. Intermolecular Energy for [C12mim][Sal] in Aqueous Solution (C, Cation; A, Anion; W, Water; H, Head of Cation; and T, Tail of Anion).
| item | electrostatic (kJ·mol–1) | LJ (kJ·mol–1) | intermolecular energy (kJ·mol–1) |
|---|---|---|---|
| C–C | 1006.0 ± 3.7 | –48.0 ± 0.3 | 958.1 ± 3.5 |
| A–A | 976.0 ± 6.3 | –3.8 ± 0.2 | 972.2 ± 6.3 |
| C–A | –2429.4 ± 7.8 | –60.0 ± 0.3 | –2489.4 ± 7.9 |
| C–W | 22.7 ± 8.1 | –20.0 ± 0.3 | 2.6 ± 8.1 |
| A–W | –205.2 ± 14.8 | 10.1 ± 0.4 | –195.1 ± 14.8 |
| H–H | 712.6 ± 2.8 | –5.8 ± 0.1 | 706.7 ± 2.8 |
| T–T | 32.2 ± 0.2 | –34.8 ± 0.2 | –2.6 ± 0.2 |
| H–T | 261.3 ± 1.0 | –7.3 ± 0.1 | 254.0 ± 0.9 |
| H–A | –2041.8 ± 6.9 | –27.7 ± 0.2 | –2069.6 ± 7.0 |
| T–A | –387.5 ± 1.5 | –32.3 ± 0.2 | –419.8 ± 1.6 |
| H–W | 9.2 ± 7.8 | –16.8 ± 0.2 | –7.6 ± 7.8 |
| T–W | 13.1 ± 1.9 | –3.2 ± 0.1 | 9.8 ± 1.9 |