Hydrolysis of Metal Ions from the Perspective of Proton Transport in Liquid Water
AbstractThe dynamics of proton transfer reactions still persists as an open question to both experimentalists and theoreticians. Theoretical studies on liquid water indicate that the molecular processes involved occur at timescales transparent to conventional detection. In contemporary models, the anomalous diffusion of a proton in liquid water appears to be closely tied to how hydrogen bonding patterns evolve, which suggests that proton dissociation proceed only if certain conditions are met: structural patterns and dynamics satisfied over a network of hydrogen bonded molecules. These have been verified through simulations of highly charged metal ions in aqueous solution in which quantum mechanical calculations are explicitly invoked to allow the occurrence of hydrolytic events. The results obtained thereof have given insight into the proper evaluation of proton transfer events and how they can be understood in the context of many body interactions.
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