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The results of a theoretical study of the first acid-ionization step to produce a contact-ion pair are presented for HF in water. The reaction is found to be an adiabatic quantum proton transfer, and has an activation barrier in a collective solvent reaction coordinate of ca. 3 kcal mol–1.
K. Ando and J. T. Hynes, Faraday Discuss., 1995, 102, 435 DOI: 10.1039/FD9950200435
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