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- Title
Solid‐state electronegativity of atoms: new approaches.
- Authors
Batsanov, Stepan S.; Batsanov, Andrei S.
- Abstract
Electronegativities (EN) of 65 elements (H to Bi, except lanthanides and noble gases, plus U and Th) in solids were derived from various observed parameters, namely, bond energies in solids, structural geometry, work functions and force constants, yielding a set of internally consistent values. The solid‐state electronegativities are generally lower than the conventional ('molecular') values, due to different coordination numbers and electronic structure in a solid versus a molecule; the decrease is stronger for metals than for non‐metals, hence binary compounds have a wider EN difference and higher bond polarity (ionicity) in the solid than in the molecular (gaseous) state. Under high pressure, the ENs of metals increase and those of non‐metals decrease, the binary solid becomes less polar and can ultimately dissociate into elements.
- Subjects
ELECTRONEGATIVITY; MOLECULAR force constants; ATOMS; ELECTRON work function; ELECTRONIC structure; HEAT of formation
- Publication
Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials, 2021, Vol 77, Issue 4, p495
- ISSN
2052-5192
- Publication type
Article
- DOI
10.1107/S2052520621004704