X-ray diffraction and Raman study of DL-alanine at high pressure: revision of phase transitions.

IF 1.9 3区化学

Acta Crystallographica Section B-structural Science Pub Date : 2012-08-01 Epub Date: 2012-07-17 DOI:10.1107/S0108768112028972

Nikolay A Tumanov, Elena V Boldyreva

引用次数: 29

Abstract

The effect of pressure on DL-alanine has been studied by X-ray powder diffraction (up to 8.3 GPa), single-crystal X-ray diffraction and Raman spectroscopy (up to ~6 GPa). No structural phase transitions have been observed. At ~1.5-2 GPa, cell parameters b and c become accidentally equal to each other, but the space-group symmetry does not change. There is no phase transition between 1.7 and 2.3 GPa, contrary to what has been reported earlier [Belo et al. (2010). Vibr. Spectrosc. 54, 107-111]. The presence of the second phase transition, which was claimed to appear within the pressure range from 6.0 to 7.3 GPa (Belo et al., 2010), is also argued. The changes in the Raman spectra have been shown to be continuous in all the pressure ranges studied.

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高压下dl -丙氨酸的x射线衍射和拉曼研究:相变的修正。

用x射线粉末衍射(高达8.3 GPa)、单晶x射线衍射和拉曼光谱(高达~6 GPa)研究了压力对dl -丙氨酸的影响。未观察到结构相变。在~1.5-2 GPa时，胞体参数b和c偶然相等，但空间群对称性没有改变。与之前的报道相反，在1.7和2.3 GPa之间没有相变[Belo et al.(2010)]。Vibr。光谱学学报，2004,26(2):444 - 444。第二相转变的存在也被认为是在6.0到7.3 GPa的压力范围内出现的(Belo et al.， 2010)。在所研究的所有压力范围内，拉曼光谱的变化都是连续的。

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.