Electron Diffraction for Charge Density Studies: Historical Perspectives and Modern Data Processing Considerations

Andrew A. Stewart

Department of Chemistry, University College London, 20 Gordon Street, London WC1H 0AJ, UK

e-mail: andy.stewart@ucl.ac.uk

Over the past decade, electron crystallography has emerged as a prominent technique within the crystallographic research community [1], enabling structural characterisation at the nanoscale and advancing new areas of structural investigation. This method is generating a growing interest within the charge density research community.

Charge density research and electron diffraction share a well-established historical connection. This presentation provides a concise overview of various electron diffraction and microscopy techniques capable of yielding valuable charge density information, along with important considerations regarding sample size requirements and dynamical scattering effects.

Regarding 3D electron diffraction (3DED), this discussion will examine critical aspects of the data processing pipeline and identify areas requiring special attention when utilizing electron diffraction data for charge density studies.

References:

[1] Gemmi et al., 3D Electron Diffraction: The Nanocrystallography Revolution, ACS Cent. Sci. 2019, 5, 1315–1329