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. Author manuscript; available in PMC: 2011 Aug 1.
Published in final edited form as: Inorg Chem. 2010 Aug 2;49(15):7188–7196. doi: 10.1021/ic101021t

Table 2.

Thermodynamic parameters for the switching between the closed and semi-open isomers of complexes 7b and 8b, respectively, at 298 K.a,b

Complex Solvent Ratio (CD2Cl2:THF-d8) Keq (M−1) ΔG° (kcal/mol) ΔH° (kcal/mol) TΔS° (kcal/mol)
7b,8b 60:40 3.5 ± 0.8 −0.7 ± 2.6 13.1 ± 1.9 13.8 ± 1.8
50:50 9 ± 3 −1.3 ± 1.6 11.4 ± 1.1 12.7 ± 1.1
40:60 31 ± 17 −2.0 ± 2.3 13.3 ± 1.7 15.3 ± 1.6
30:70 150 ± 18 −3.0 ± 0.2 9.4 ± 0.2 12.4 ± 0.2
20:80 3×103 ± 1×103 −4.7 ± 0.3 8.1 ± 0.2 12.8 ± 0.3
10:90 1.6×104 ± 6×103 −5.7 ± 0.4 7.2 ± 0.2 13.0 ± 0.3
0:100 2.9×104 ± 9×103 −6.1 ± 0.3 2.7 ± 0.2 8.8 ± 0.3
a

Enthalpy and entropy values were obtained by neglecting the solvent heat capacity –ΔCp°.14

b

Thermodynamic parameters were extrapolated from van’t Hoff plots (Figure 11). Uncertainties were determined by a least squares analysis from three different samples.