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Mar 14 – 17, 2022
Europe/Berlin timezone

Hydrogen shift in electrostatic potential maps from 3D ED experiments

Mar 15, 2022, 2:59 PM
5m
Young Crystallographers Lightning Talks(+poster) Young crystallographers Lightning Talks Young Crystallographers Lightning Talks

Speaker

Paul Benjamin Klar

Description

3D electron diffraction determines the electrostatic potential, which is dominated by the positively charged nuclei and affected by chemical bonds. We observe this effect from the refined coordinates of hydrogen atoms using the independent atom model, suggesting that aspherical atom models should be used.

Primary authors

Paul Benjamin Klar Yaşar Krysiak (Institute of Inorganic Chemistry of the Leibniz University Hannover, Germany) Gwladys Steciuk (Institute of Physics of the Czech Academy of Sciences, Prague, Czechia) Lukas Palatinus (Institute of Physics of the Czech Academy of Sciences, Prague, Czechia)

Presentation materials