C60·4苯结构的有序-无序相变。

IF 1.9 3区化学

Acta Crystallographica Section B-structural Science Pub Date : 2012-02-01 Epub Date: 2012-01-06 DOI:10.1107/S0108768111046593

Marilyn M Olmstead, Alan L Balch, Hon Man Lee

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引用次数: 11

摘要

在C(60)·4苯的结构中观察到一个可逆的、宽的、有序无序的相变，其拐点在134 K。在低温结构中，虽然不对称单元中两个C(60)分子的平均原子位移参数不同，但富勒烯的无序性被去除。甚至在13k时，苯的无序性仍然存在。

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An order-disorder phase transition in the structure of C60·4benzene.

A reversible, broad, order-disorder phase transition in the structure of C(60)·4benzene has been observed to take place with an inflection point at 134 K. In the low-temperature structure fullerene disorder is removed, although the average atomic displacement parameters differ for the two C(60) molecules in the asymmetric unit. Some benzene disorder persists, even at 13 K.

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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.