Electronegativity as a Ranking of Atoms’ and Functional Groups’ Ability to Take Electrons from Other Moieties in a Molecule
Abstract
We generate an electronegativity scale based on the ability of atoms and functional groups in molecules to take electrons from the other atoms and functional groups therein. To do this, we construct the minimum weighted feedback arc set, which provides a ranking of moieties' electronegativity based on the number of electrons they accept, or donate, from other moieties. A rating scale for electronegativity is then constructed by projecting data about the pairwise electronegativity difference onto a one-dimensional manifold. Our results are broadly in line with more traditional scales of the electronegativity and electronic chemical potential, especially Pauling's definition.
Fields of Study & Subjects
Molecular Junctions and Nanostructures
Graph theory and applications
Advanced Physical and Chemical Molecular Interactions
Publication details
- Journal / source
- The Journal of Physical Chemistry A
- Publisher
- American Chemical Society (ACS)
- Volume
- 130
- Issue
- 9
- Pages
- 1918–1923
- Publication date
- 20 February 2026
- Language
- EN