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. 2016 Nov 30;8(3):2184–2190. doi: 10.1039/c6sc05058a

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.