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

Tatiana E Gorelik¹, Martin U Schmidt², Ute Kolb¹

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

Microscopy and Microanalysis : the Official Journal of Microscopy Society of America, Microbeam Analysis Society, Microscopical Society of Canada

|December 17, 2014

Summary

This summary is machine-generated.

This study demonstrates that pair-distribution function (PDF) analysis is feasible for organic and organometallic compounds using powder electron diffraction data. The electron diffraction PDF (ePDF) results closely match X-ray diffraction data, confirming the method

Keywords:

nanocrystalline materials

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Published on: August 22, 2017

Area of Science:

Materials Science
Chemistry
Crystallography

Background:

Pair-distribution function (PDF) analysis is crucial for understanding atomic arrangements in materials.
Electron diffraction offers high spatial resolution for structural analysis.
Applying PDF analysis to electron diffraction data for organic compounds has been challenging.

Purpose of the Study:

To demonstrate the feasibility of pair-distribution function (PDF) analyses on organic and organometallic compounds using powder electron diffraction data.
To validate electron diffraction PDF (ePDF) results against established X-ray diffraction methods.
To showcase different experimental setups for acquiring high-quality electron diffraction data for PDF analysis.

Main Methods:

Powder electron diffraction data acquisition using selected area electron diffraction (SAED) and nanodiffraction modes in transmission electron microscopy (TEM) and scanning transmission electron microscopy (STEM).
Pair-distribution function (PDF) analysis applied to the collected electron diffraction patterns to obtain ePDF curves.
Comparison of ePDF results with PDF data obtained from conventional X-ray powder diffraction.

Main Results:

Successful application of PDF analysis to both organometallic (copper phthalocyanine) and organic (quinacridone) compounds using electron diffraction data.
Electron diffraction PDF (ePDF) curves show good agreement with X-ray diffraction PDF curves.
Demonstrated that obtaining kinematical scattering data and mitigating beam damage are achievable challenges.

Conclusions:

Powder electron diffraction is a viable technique for performing PDF analyses on organic and organometallic materials.
The ePDF method provides reliable structural information comparable to X-ray diffraction.
This advancement opens new avenues for nanoscale structural characterization of molecular compounds.