References and Footnotes
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- In bulk water, the experimental ΔG (gas => liq) is -2.1 kcal/mol, while the ΔH (gas => liq) is−10.5 kcal/mol.(12) Considering that there are four hydrogen bonds per water molecule and the double counting of number of interacting pairs, the free energy per hydrogen bond in the water solution could be approximated to be roughly ∼−1.0 kcal/mol, and the enthalpy per hydro gen bond, ∼−5 kcal/mol. This enthalpy is somewhat enhanced than that of the water dimer (∼−4 kcal/mol),(14) because the dielectric constant of the bulk water is large. Even for the phase transition of the liquid water to ice, the ΔG is only−1.4 kcal/mol. Therefore, values of−ΔG are generally much smaller than those of−ΔH. Consequently, the value of ΔG = ∼−0.7 kcal/mol should not be considered small
- Curtiss , L. A. , Frurips , D. L. and Blander , M. 1979 . J. Chem. Phys. , 71 : 2703 (a) Chem. Phys. Lett. 54, 575 (1978). (b) K. S. Kim, B. J. Mhin, U-S. Choi, and K. Lee, J. Chem. Phys. 97, 6649 (1992)