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基于粉末电子衍射数据的有机材料全散射对分布函数

Total-scattering pair-distribution function of organic material from powder electron diffraction data.

作者信息

Gorelik Tatiana E, Schmidt Martin U, Kolb Ute, Billinge Simon J L

机构信息

1Institute of Physical Chemistry,Johannes Gutenberg-University,Jakob Welder Weg 11,55128 MainzGermany.

2Institute of Inorganic and Analytical Chemistry,Goethe University,Max-von-Laue-Str. 7,D-60438 Frankfurt am Main,Germany.

出版信息

Microsc Microanal. 2015 Apr;21(2):459-71. doi: 10.1017/S1431927614014561. Epub 2014 Dec 16.

DOI:10.1017/S1431927614014561
PMID:25510245
Abstract

This paper shows that pair-distribution function (PDF) analyses can be carried out on organic and organometallic compounds from powder electron diffraction data. Different experimental setups are demonstrated, including selected area electron diffraction and nanodiffraction in transmission electron microscopy or nanodiffraction in scanning transmission electron microscopy modes. The methods were demonstrated on organometallic complexes (chlorinated and unchlorinated copper phthalocyanine) and on purely organic compounds (quinacridone). The PDF curves from powder electron diffraction data, called ePDF, are in good agreement with PDF curves determined from X-ray powder data demonstrating that the problems of obtaining kinematical scattering data and avoiding beam damage of the sample are possible to resolve.

摘要

本文表明,可以根据粉末电子衍射数据对有机和有机金属化合物进行对分布函数(PDF)分析。展示了不同的实验装置,包括选区电子衍射、透射电子显微镜中的纳米衍射或扫描透射电子显微镜模式下的纳米衍射。这些方法在有机金属配合物(氯化和未氯化的铜酞菁)和纯有机化合物(喹吖啶酮)上得到了验证。粉末电子衍射数据得到的PDF曲线(称为ePDF)与X射线粉末数据确定的PDF曲线高度吻合,这表明获取运动学散射数据和避免样品束损伤的问题是可以解决的。

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