The self-diffusion coefficient of water is reported to −31°C, where the activation energy reaches 11 kcal/mole compared with 4.5 kcal/mole at 25°C. The similarity of the temperature dependence of the fraction of broken hydrogen bonds, as inferred from Raman and infrared data, and the diffusion coefficient over the entire liquid range forms the basis of empirical support of the dominant role of hydrogen bonding in the fundamental diffusion mechanism.
Equilibration of 1,9- and 7,8-C(70)H(2) has allowed the relative free energy of these isomers to be measured. These "simplest hydrocarbon derivatives of C(70)" are formed by hydroboration of C(70) at room temperature. Analysis of the platinum-catalyzed equilibration of these isomers yielded a relative free energy at 295 kelvin of 1.4 +/- 0.2 kilocalories per mole, with the 1,9 isomer being more stable. This value is in excellent agreement with the ab initio HF/6-31 G(*) calculated energy difference of 1.3 kilocalories per mole, whereas semiempirical calculations gave poor agreement.
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