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Diffuse Scattering in Disordered Molecular Crystals

 

作者: T.R. Welberry,   R.L. Withers,  

 

期刊: Molecular Crystals and Liquid Crystals Science and Technology. Section A. Molecular Crystals and Liquid Crystals  (Taylor Available online 1992)
卷期: Volume 211, issue 1  

页码: 17-33

 

ISSN:1058-725X

 

年代: 1992

 

DOI:10.1080/10587259208025801

 

出版商: Taylor & Francis Group

 

关键词: diffuse scattering;disorder;molecular crystal;molecular packing;position-sensitive detector

 

数据来源: Taylor

 

摘要:

Conventional crystal structure analysis using Bragg diffraction data reveals only average one-body structural information, such as atomic positions, thermal ellipsoids and site occupancies. Diffuse scattering, on the other hand, gives two-body information and is thus potentially a rich source of information of how molecules interact. However, since typical diffuse scattering intensities are ∼lO3-lO4down on Bragg intensities, obtaining such information is still a far from routine process and quantitative studies are rare. In this paper we describe some of the concepts and difficulties involved, with particular reference to the example of 1,3-dibromo-2,5-diethyl-4,6-dimethyl benzene (BEMB2), which is disordered as a result of the fact that the molecule can take up either one of two different orientations in a given molecular site.

 

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