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高压下乙二醇中的氢键和构象。

Hydrogen bonds and conformations in ethylene glycol under pressure.

机构信息

Department of Chemistry, University of Western Ontario, London, Ontario, N6A5B7, Canada.

出版信息

J Phys Chem B. 2012 Oct 18;116(41):12574-80. doi: 10.1021/jp306220q. Epub 2012 Oct 8.

Abstract

Ethylene glycol (EG) is a model system for studying complex hydrogen bonding networks in biological compounds such as polysaccharides and sugars. Using in situ high-pressure Raman and infrared absorption spectroscopy, we have investigated the pressure induced variation in the conformations and hydrogen bonding interactions in this compound up to 10 GPa. The high-pressure behavior of Raman modes suggests that EG exists as a liquid with a mixture of trans and gauche conformations up to 3.1 GPa. At ∼4 GPa, a liquid-solid transition is evidenced by the appearance of external Raman modes as well as visual observation. Raman and infrared spectra of EG at high pressures indicate that new hydrogen bonding networks are formed prior to liquid-solid transition and the high pressure phase is stabilized to gauche conformation at pressures above 5 GPa.

摘要

乙二醇(EG)是研究多糖和糖等生物化合物中复杂氢键网络的模型体系。使用原位高压拉曼和红外吸收光谱,我们研究了该化合物在高达 10 GPa 压力下构象和氢键相互作用的压力诱导变化。拉曼模式的高压行为表明,EG 在 3.1 GPa 以下以反式和 gauche 构象的混合物存在于液体中。在约 4 GPa 时,出现外部拉曼模式以及肉眼观察到的现象,表明发生了液-固转变。EG 在高压下的拉曼和红外光谱表明,在液-固转变之前形成了新的氢键网络,并且在 5 GPa 以上的压力下,高压相稳定在 gauche 构象。

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