Proton solvation and proton mobility

Noam Agmon*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

94 Scopus citations

Abstract

Experimental evidence for proton solvation and proton mobility is analyzed and the results are compared with recent simulations. Three factors contribute to differences in proton solvation energies: hydrogen-bond cleavage, changes in hydrogen-bond lengths, and proton delocalization. These factors are estimated from experimental attributes. In dilute acidic aqueous solutions H3O+ is more stable than H5O2+ by about 0.6 kcal/mol. This estimate, together with the activation energy for proton mobility, supports the 121 mechanism for proton mobility in which a protonated water monomer is transformed, by second-shell hydrogen-bond cleavage, to a protonated dimer and back to another protonated monomer.

Original languageEnglish
Pages (from-to)493-502
Number of pages10
JournalIsrael Journal of Chemistry
Volume39
Issue number3-4
DOIs
StatePublished - 1999

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