Effect of pressure on crystalline L- and DL-serine: revisited by a combined single-crystal X-ray diffraction at a laboratory source and polarized Raman spectroscopy study.

IF 1.9 3区化学

Acta Crystallographica Section B-structural Science Pub Date : 2012-06-01 Epub Date: 2012-05-17 DOI:10.1107/S0108768112015960

Boris A Zakharov, Boris A Kolesov, Elena V Boldyreva

引用次数: 30

Abstract

Information on the effect of pressure on hydrogen bonds, which could be derived from single-crystal X-ray diffraction at a laboratory source and polarized Raman spectroscopy, has been compared. L-Serine and DL-serine were selected for this case study. The role of hydrogen bonds in pressure-induced phase transitions in the first system and in the structural stability of the second one are discussed. Non-monotonic distortion of selected hydrogen bonds in the pressure range below ~1-2 GPa, a change in the compression mechanism at ~2-3 GPa, and the evidence of formation of bifurcated N-H...O hydrogen bonds in DL-serine at ~3-4 GPa are considered.

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压力对L-丝氨酸和dl -丝氨酸晶体的影响:通过实验室源单晶x射线衍射和偏振拉曼光谱研究重新审视。

比较了实验室单晶x射线衍射和偏振拉曼光谱所得的压力对氢键的影响。我们选择l -丝氨酸和dl -丝氨酸作为本案例的研究对象。讨论了氢键在第一个系统的压力诱导相变和第二个系统的结构稳定性中的作用。在~1-2 GPa以下的压力范围内，选定的氢键发生了非单调畸变，在~2-3 GPa时，压缩机制发生了变化，并且有证据表明，N-H -2的分叉形成。考虑了dl -丝氨酸在~3-4 GPa下的O氢键。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Acta Crystallographica Section B-structural Science 化学-晶体学

自引率

5.30%

发文量

审稿时长

6-12 weeks

期刊介绍： Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials publishes scientific articles related to the structural science of compounds and materials in the widest sense. Knowledge of the arrangements of atoms, including their temporal variations and dependencies on temperature and pressure, is often the key to understanding physical and chemical phenomena and is crucial for the design of new materials and supramolecular devices. Acta Crystallographica B is the forum for the publication of such contributions. Scientific developments based on experimental studies as well as those based on theoretical approaches, including crystal-structure prediction, structure-property relations and the use of databases of crystal structures, are published.