title: HF acid ionization in water: the first step.
abstract: 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.
authors.affiliation: Institute of Physical and Chemical Research (RIKEN), Saitama, Japan.
authors.forename: K
authors.initials: K
authors.lastname: Ando
authors.forename: J T
authors.initials: JT
authors.lastname: Hynes
mesh_terms: D002151:Calorimetry; D005459:Fluorides; D006858:Hydrofluoric Acid / Q000737:chemistry*; D008956:Models, Chemical; D008958:Models, Molecular; D011522:Protons; D012997:Solvents; D014867:Water
chemical_list: D011522:Protons; D012997:Solvents; D014867:Water; D005459:Fluorides; D006858:Hydrofluoric Acid