Mason P E, Ansell S, Neilson G W
Department of Food Science, Cornell University, Ithaca, NY, USA.
J Phys Condens Matter. 2006 Sep 20;18(37):8437-47. doi: 10.1088/0953-8984/18/37/004. Epub 2006 Aug 30.
A method of neutron diffraction is described which enables the first hydration zone of small cations to be investigated at atomic resolution. It is shown that the cation structures of aqueous electrolyte solutions dissolved in a 'null' mixture of water (H(2)O) and heavy water (D(2)O), can be calculated directly from the neutron scattering patterns. The hitherto unresolved structure around Na(+) is used to illustrate the power of this method, the accuracy of which is discussed formally with reference to standard nickel chloride solutions. Possible applications to a variety of other systems and at different thermodynamic states are proposed.
本文描述了一种中子衍射方法,该方法能够在原子分辨率下研究小阳离子的第一水合层。结果表明,溶解在水(H₂O)和重水(D₂O)的“零”混合物中的电解质水溶液的阳离子结构,可以直接从中子散射图案计算得出。以Na⁺周围迄今尚未解析的结构为例来说明该方法的强大功能,并参照标准氯化镍溶液正式讨论了该方法的准确性。还提出了该方法在各种其他系统和不同热力学状态下的可能应用。