Näslund L-A, Lüning J, Ufuktepe Y, Ogasawara H, Wernet Ph, Bergmann U, Pettersson L G M, Nilsson A
FYSIKUM, Stockholm University, Albanova University Center, S-106 91 Stockholm, Sweden.
J Phys Chem B. 2005 Jul 21;109(28):13835-9. doi: 10.1021/jp052046q.
Recent studies, based on X-ray absorption spectroscopy (XAS) and X-ray Raman scattering (XRS), have shown that the hydrogen bond network in liquid water consists mainly of water molecules with only two strong hydrogen bonds. Since this result is controversial, it is important to demonstrate the reliability of the experimental data, which is the purpose of this paper. Here we compare X-ray absorption spectra of liquid water recorded with five very different techniques sensitive to the local environment of the absorbing molecule. Overall, the spectra obtained with photon detection show a very close similarity and even the observable minor differences can be understood. The comparison demonstrates that XAS and XRS can indeed be applied reliably to study the local bonding of the water molecule and thus to reveal the hydrogen bond situation in bulk water.
基于X射线吸收光谱（XAS）和X射线拉曼散射（XRS）的近期研究表明，液态水中的氢键网络主要由仅具有两个强氢键的水分子组成。由于这一结果存在争议，因此证明实验数据的可靠性很重要，这也是本文的目的。在这里，我们比较了用五种对吸收分子的局部环境敏感的截然不同的技术记录的液态水的X射线吸收光谱。总体而言，通过光子检测获得的光谱显示出非常相似的特征，甚至可观察到的微小差异也可以得到解释。该比较表明，XAS和XRS确实可以可靠地用于研究水分子的局部键合，从而揭示大量水中的氢键情况。
