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Updated: Jul 11, 2025

Quantitative Atomic-Site Analysis of Functional Dopants/Point Defects in Crystalline Materials by Electron-Channeling-Enhanced Microanalysis
Published on: May 10, 2021
A focus on penetration index - a new descriptor of chemical bonding
1Center of New Technologies, University of Warsaw Zwirki i Wigury 93 02-089 Warsaw Poland w.grochala@cent.uw.edu.pl.
Abstract:
Electron clouds surrounding atoms interpenetrate in a molecule, due to weak van der Waals interactions or formation of a genuine chemical bond. Now, Alvarez and Echeverría (S. Alvarez, J. Echeverría, Chem. Sci., 2023, https://doi.org/10.1039/D3SC02238B) suggest a simple descriptor of how deep this interpenetration is, calling it a penetration index, i [Å]. This property may easily be related to a combined thickness of the van der Waals regions of two bond-forming atoms, thus giving rise to a dimensionless penetration index, pAB [%]. How far this new index may take us will be discussed in this article.
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