用单晶x射线衍射、拉曼光谱和差示扫描量热法研究了甘氨酸-戊二酸共晶的低温相变。

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/S0108768112015972

Boris A Zakharov, Evgeniy A Losev, Boris A Kolesov, Valeri A Drebushchak, Elena V Boldyreva

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引用次数: 21

摘要

用单晶x射线衍射、偏振拉曼光谱和差示扫描量热法证实了甘氨酸-戊二酸共晶体在220-230 K时发生了一级可逆相变。这种相变最有趣的特征是，戊二酸分子每秒钟就会改变它的构象，这一事实导致空间群对称从P2(1)/c变为P1。氢键基序的拓扑结构几乎保持不变，氢键不会转移到其他原子上，尽管氢键的长度会改变，一些键会变得不相等。

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Low-temperature phase transition in glycine-glutaric acid co-crystals studied by single-crystal X-ray diffraction, Raman spectroscopy and differential scanning calorimetry.

The occurrence of a first-order reversible phase transition in glycine-glutaric acid co-crystals at 220-230 K has been confirmed by three different techniques - single-crystal X-ray diffraction, polarized Raman spectroscopy and differential scanning calorimetry. The most interesting feature of this phase transition is that every second glutaric acid molecule changes its conformation, and this fact results in the space-group symmetry change from P2(1)/c to P1. The topology of the hydrogen-bonded motifs remains almost the same and hydrogen bonds do not switch to other atoms, although the hydrogen bond lengths do change and some of the bonds become inequivalent.

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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.