Proton Magnetic Resonance Studies of Water Structure
Proton Magnetic Resonance Studies of Water Structure
复制标题
水结构的质子磁共振研究
DOI：
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发表时间：
1968
期刊：
影响因子：
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通讯作者：
J. Hindman
中科院分区：
文献类型：
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作者：
J. Hindman
讨论了解释水的质子化学位移数据及其随温度变化的问题。通过使用完全氢键水（冰）的化学位移的导出值和单体水分子化学位移的实验数据，结果表明，数据的总体特征可以通过涉及氢键“冰状”成分和仅通过色散力与晶格或自身相互作用的单体物质之间的平衡的模型来解释。然而，不同类型的实验数据并不能得出与该模型完全一致的结果，这表明该模型存在不足之处。当比较其他各种二元模型时，也会发现差异。认为必须考虑氢键断裂以外的变化的可能性。值得注意的是，质子共振对氢键的拉伸和弯曲敏感。讨论了这一观察结果对水结构数据解释的影响。
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.