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Energetic characteristics of supramolecular complex formation, computed with M2
| Complex | Calculated binding free energy | Energy efficiency | Interfacial efficiency |
|---|---|---|---|
| ΔG° | ΔG°/ΔE | ΔG°/Δ(area) | |
| CB[7]·1 | −32 | 0.30 | 0.075 |
| CB[7]·2 | −61 | 0.49 | 0.12 |
| CB[7]·3 | −102 | 0.57 | 0.18 |
Energies are given in kJ mol−1, areas are given in Å2.
