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This paper introduces a novel electronegativity scale, $\chi_{\mathrm{AMIP},p}$, derived from the atomic mean inner potential (AMIP), a quantum-mechanical property accessible through computation and experiment. The scale is an analytic function of three ground-state atomic descriptors and possesses explicit physical units. The proposed scale demonstrates strong agreement with existing electronegativity scales and accurately predicts Lewis acid strengths and $\gamma$-ray annihilation spectral widths, outperforming previous methods.
A new electronegativity scale, rooted in a fundamental quantum property, unlocks more accurate predictions of chemical behavior than existing empirical methods.
Electronegativity is a cornerstone of chemical intuition, essential for rationalizing bonding, reactivity, and material properties. However, prevailing scales remain empirically derived, often relying on parameterized models or composite physical quantities. In this work, we introduce a universal electronegativity scale founded on the atomic mean inner potential (AMIP), also known as the average Coulomb potential, a fundamental, quantum-mechanical property accessible through both first-principles computation and electron-scattering experiments. Our scale, denoted $\chi_{\mathrm{AMIP},p}$, is an analytic function of just three ground-state atomic descriptors and carries explicit physical units. It demonstrates excellent agreement with established scales and successfully classifies bonding types across 358 compounds, including adherence to the metalloid ``Si rule". Beyond replicating known trends, $\chi_{\mathrm{AMIP,1/2}}$ proves to be a powerful predictive tool, accurately determining Lewis acid strengths for over 14,000 coordination environments ($R^2=0.93$) and $\gamma$-ray annihilation spectral widths for 36 elements ($R^2=0.97$), outperforming previous methods. By linking electronegativity directly to a measurable quantum property, this work provides a unified and predictive descriptor for electronic structure and chemical behavior across the periodic table.
