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 | STRUCTURAL CHEMISTRY |
ISSN: 2053-2296
Advances in electron diffraction for structural characterization
Edited by Glenn Yap, Eric Reinheimer, Joe Ferrara, Laura Samperisi and Gunther Steinfeld
The use of electron diffraction (ED) as an alternative to traditional X-ray diffraction has gained traction in the last several years especially in the advent of electron beam diffractometers being developed. This collection will highlight recent advances in the technique and attempt to lay groundwork in establishing crystallographically sound standards and best practices for data collection and structural interpretation.
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Exciting developments are unfolding in the realm of chemical crystallography, especially with the profound impact of electron diffraction and the remarkable progress it has witnessed in recent years.
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The crystal structure of the natural fungal product beauveriolide I, isolated from the fungus Cordyceps javanica (Bally) Kepler, B. Shrestha & Spatafora, was subjected to 3D electron diffraction experiment and its absolute structure was determined by dynamical refinement.
CCDC reference: 2332378
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The absolute structure of Berkecoumarin, a natural product from a Berkeley Pit Lake Penicillium sp. is reported from both X-ray and electron diffraction data.
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This topical review highlights recent 3D ED/MicroED developments and serves as proceedings of a symposium and workshop held on November 6–9, 2023, at the National Center for CryoEM Access and Training in New York, New York, USA.
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With the currently avalaible 3D ED data it is possible to observe details of electrostatic potential deformations due to chemical bonding in organic crystals. The deformation signal is strong enough to see the benefits of using a more accurate potential model (TAAM) in achieving a better fit of the model to the experimental data.
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The structure of a CO2 reduction photocatalyst prototype, the first cis-dicarbonyl ruthenium(II) tetrapyrrole complex, has been determined by X-ray and electron diffraction to have an unprecedented seesaw-coordinated biladiene ligand.
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3D ED studies of synthetic rhabdophane allow single-crystal structure solution from individual nanocrystals and provides insight into the disordered water arrangment in the material. This highlights the usefulness of this technique to study order/disorder at nanoscale and its potential in exploring the effects of irradiation-induced structural and phase changes at such scales in the near future.
