27 June 2002

Hydroxide ions: Picture this

The transport of protons and hydroxide ions in aqueous solution is
fundamental to the chemistry of acidic and basic solutions and to numerous
biological processes. A century-old notion views hydroxide ions as water
molecules missing a proton (the so called 'proton hole picture'), and accordingly suggests that the hydroxide transport mechanism can be directly inferred from the proton transport mechanism, which is well understood. But new computer simulations show that the transport of hydrated hydroxide ions differs strongly from the proton hole picture: it involves an interplay between hydration complexes that bear little resemblance to proton hydration complexes and is, moreover, strongly influenced by nuclear quantum effects.

The nature and transport mechanism of hydrated hydroxide ions in aqueous solution
MARK E. TUCKERMAN, DOMINIK MARX & MICHELE PARRINELLO
Nature 417, 925–929 (2002); doi:10.1038/nature00797
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