Electronegativity Reshaped by Atomic Morphodynamics: A Bonding-Environment-Adaptive Scaling Framework

This study proposes a novel electronegativity scale based on atomic deformation theory, which for the first time integrates dynamic morphological changes of atoms induced by chemical environments into the quantification framework. By modeling shape evolution during diatomic bonding, it is revealed that compressive/tensile deformations caused by electron cloud redistribution critically modulate localized electronegativity. In this model, electronegativity is defined as a function related to the deformed atomic surface area and volume, enabling precise real-time electronegativity calculations for atoms in varying chemical contexts. The results demonstrate electronegativity fluctuations depends on coordination partners. Notably, in Li-H systems, lithium exhibits higher electronegativity(χs = 0.25199) than hydrogen(χs = 0.22941), which differs from the electronegativity scale values of hydrogen and lithium reported in most literature.The present work achieves environment-dependent electronegativity modeling, whereas conventional scales rely on isolated-atom assumptions and fail to capture dynamic electron redistribution during bonding.