气体水合物的拉曼光谱——与冰1h和（气体饱和）水的差异及类比

Raman spectra of gas hydrates--differences and analogies to ice 1h and (gas saturated) water.

作者信息

Schicks J M, Erzinger J, Ziemann M A

机构信息

GeoForschungsZentrum Potsdam, Telegrafenberg, D-14473 Potsdam, Germany.

出版信息

Spectrochim Acta A Mol Biomol Spectrosc. 2005 Aug;61(10):2399-403. doi: 10.1016/j.saa.2005.02.019.

DOI:10.1016/j.saa.2005.02.019

PMID:16029863

Abstract

It is generally accepted that Raman spectroscopic investigations of gas hydrates provide vital information regarding the structure of the hydrate, hydrate composition and cage occupancies, but most research is focused on the vibrational spectra of the guest molecules. We show that the shape and position of the Raman signals of the host molecules (H(2)O) also contain useful additional information. In this study, Raman spectra (200-4000 cm(-1)) of (mixed) gas hydrates with variable compositions and different structures are presented. The bands in the OH stretching region (3000-3800 cm(-1)), the O-H bending region (1600-1700 cm(-1)) and the O-O hydrogen bonded stretching region (100-400 cm(-1)) are compared with the corresponding bands in Raman spectra of ice Ih and liquid water. The interpretation of the differences and similarities with respect to the crystal structure and possible interactions between guest and host molecules are presented.

摘要

一般认为，对气体水合物进行拉曼光谱研究可提供有关水合物结构、水合物组成和笼占有率的重要信息，但大多数研究集中在客体分子的振动光谱上。我们表明，主体分子（H₂O）的拉曼信号的形状和位置也包含有用的额外信息。在本研究中，给出了具有可变组成和不同结构的（混合）气体水合物的拉曼光谱（200 - 4000 cm⁻¹）。将OH伸缩区域（3000 - 3800 cm⁻¹）、O - H弯曲区域（1600 - 1700 cm⁻¹）和O - O氢键伸缩区域（100 - 400 cm⁻¹）中的谱带与冰Ih和液态水的拉曼光谱中的相应谱带进行了比较。阐述了关于晶体结构以及客体与主体分子之间可能相互作用的差异和相似性的解释。