Table 2. Thermodynamic and kinetic parameters for the complexation with cycHC[8] at 298 K, all energies given in kJ mol–1 .
Guest | ITC titration |
ΔG° |
VT-NMR |
|||||||
Activation parameters for complex formation |
Association rate constant a k × 103 s–1 | |||||||||
K a (M–1) | ΔH° | TΔS° | ITC titration | NMR titration | DFT calc. | ΔH ‡ | TΔS ‡ | ΔG ‡ | ||
NaSbF6 | (1.02 ± 0.03) × 105 | –56.2 ± 0.3 | –27.7 | –28.5 | –30.8 | — | 38.6 | –13.4 | 51.9 | 2.6 |
NaPF6 | (1.29 ± 0.04) × 104 | –43.8 ± 0.2 | –20.4 | –23.4 | –24.5 | –22 | 42.1 | –5.5 | 47.5 | 17.5 |
aDetermined at 291 K.