Salzmann Christoph G, Hallbrucker Andreas, Finney John L, Mayer Erwin
Institute of General, Inorganic and Theoretical Chemistry, University of Innsbruck, A-6020, Innsbruck, Austria.
Phys Chem Chem Phys. 2006 Jul 14;8(26):3088-93. doi: 10.1039/b604360g. Epub 2006 Jun 1.
Raman spectra of recovered ordered H(2)O (D(2)O) ice XIII doped with 0.01 M HCl (DCl) recorded in vacuo at 80 K are reported in the range 3600-200 cm(-1). The bands are assigned to the various types of modes on the basis of isotope ratios. On thermal cycling between 80 and 120 K, the reversible phase transition to disordered ice V is observed. The remarkable effect of HCl (DCl) on orientational ordering in ice V and its phase transition to ordered ice XIII, first reported in a powder neutron diffraction study of DCl doped D(2)O ice V (C. G. Salzmann, P. G. Radaelli, A. Hallbrucker, E. Mayer, J. L. Finney, Science, 2006, 311, 1758), is demonstrated by Raman spectroscopy and discussed. The dopants KOH and HF have only a minor effect on hydrogen ordering in ice V, as shown by the Raman spectra.
报道了在80K真空条件下记录的、掺杂0.01M HCl（DCl）的回收有序H₂O（D₂O）冰十三的拉曼光谱，范围为3600 - 200cm⁻¹。根据同位素比率将这些谱带归属为各种类型的模式。在80K和120K之间进行热循环时，观察到向无序冰V的可逆相变。HCl（DCl）对冰V中取向有序化及其向有序冰十三的相变的显著影响，首次在掺杂DCl的D₂O冰V的粉末中子衍射研究中报道（C.G. Salzmann、P.G. Radaelli、A. Hallbrucker、E. Mayer、J.L. Finney，《科学》，2006年，311卷，1758页），通过拉曼光谱得到证实并进行了讨论。拉曼光谱表明，掺杂剂KOH和HF对冰V中的氢有序化只有轻微影响。
