Proton Magnetic Resonance Studies of Water Structure
The problem of interpreting the proton chemical-shift data for water and its variation with temperature is discussed. By using a derived value for the chemical shift of fully hydrogen-bonded water (ice) and experimental data for the chemical shift of monomeric water molecules, it is shown that the gross features of the data can be accounted for by a model involving an equilibrium between a hydrogen-bonded “icelike” component and a monomeric species interacting with the lattice or with itself only by dispersion forces. Different kinds of experimental data do not, however, yield results completely consistent with this model, which indicates that there are inadequacies in the model. Discrepancies are also found when various other two-component models are compared. The possibility is considered that changes other than the breaking of hydrogen bonds must be taken into account. It is noted that the proton resonance is sensitive to the stretching and bending of hydrogen bonds. The implications of this observation for the interpretation of data on water structure is discussed.
KeywordsChemical Shift Liquid Water Water Structure Dispersion Force Proton Magnetic Resonance Study
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