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Interpretation of electron diffraction data from organic microcrystals: a theoretical perspective.

B Moss1

  • 1Department of Materials Engineering, Monash University, Clayton, Victoria, Australia.

Journal of Electron Microscopy Technique
|April 1, 1989
PubMed
Summary

Quantitative analysis of transmission electron diffraction (TED) data from organic microcrystals is discussed. The framework accounts for crystal perfection and bending effects, enabling accurate structure determination.

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Area of Science:

  • Materials Science
  • Crystallography
  • Electron Microscopy

Background:

  • Quantitative analysis of transmission electron diffraction (TED) data is crucial for determining the structure of organic microcrystals.
  • Crystal perfection significantly impacts the appropriate analytical framework, with solution-grown crystals being nearly perfect and epitaxial samples being less perfect.
  • Existing methods require refinement to accurately account for dynamical scattering and crystal bending effects.

Purpose of the Study:

  • To discuss the current framework for quantitative analysis of TED data from organic microcrystals.
  • To highlight the dependence of analytical formulation on crystal perfection and bending characteristics.
  • To address the refinement of structural models by considering dynamical and crystal bending effects.

Main Methods:

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  • Analysis of Bragg intensity data to obtain near-kinematical data for ab initio structure analysis.
  • Consideration of dynamical scattering and crystal bending effects for model refinement.
  • Evaluation of three-dimensional data sets from tilt series.

Main Results:

  • The appropriate formulation for quantitative TED analysis depends on crystal perfection (regular bends in solution-grown vs. irregular bends in epitaxial samples).
  • Near-kinematical Bragg intensity data can be obtained for ab initio structure analysis.
  • Independent analysis of small dynamical and crystal bending effects is a valid approximation.

Conclusions:

  • The current framework for quantitative TED analysis of organic microcrystals is presented.
  • Accurate structural analysis requires accounting for crystal perfection and bending effects.
  • Further clarification is needed for the analysis of three-dimensional data sets from tilt series.