Proton chemical shift and hydration of the hydronium ion in aqueous acids
- 1 January 1973
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in J. Chem. Soc., Dalton Trans.
- No. 1,p. 49-52
- https://doi.org/10.1039/dt9730000049
Abstract
A new four-site model is developed to describe the chemical shifts of aqueous acid solutions which takes into account the structure-breaking effect of ions. The model predicts the differing values obtained from different acids for the chemical shift of H3O+ and also predicts closely the apparent variations with temperature of the measured shift. The electric field of the ion H3O+ produces only small chemical shifts in any hydrogen-bonded water and n.m.r. chemical-shift studies are probably insensitive to the presence of such species as H5O2 + or H9O4 +. Measurements at different temperatures are consistent only with the formulation H3O+.Keywords
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