2021•Chemical ScienceOpen access

Relating atomic energy, radius and electronegativity through compression

Martin Rahm, Paul Erhart, Roberto Cammi

Abstract

Trends in atomic properties are well-established tools for guiding the analysis and discovery of materials. Here, we show how compression can reveal a long sought-after connection between two central chemical concepts - van-der-Waals (vdW) radii and electronegativity - and how these relate to the driving forces behind chemical and physical transformations.

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Key concepts: Electronegativity, van der Waals force, Van der Waals radius, Connection (principal bundle), Atomic radius, RADIUS, Compression (physics), Van der Waals strain