Electronegativity and hardness as coordinates in structure stability diagrams.

S Shankar; R G Parr

doi:10.1073/pnas.82.2.264

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Electronegativity and hardness as coordinates in structure stability diagrams.

S Shankar·R G Parr

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Abstract

With electronegativity and hardness of an atom defined as 1/2(I + A) and 1/2(I - A), respectively, where I and A are the ionization potential and electron affinity, electronegativity difference and hardness sum are proposed as coordinates in structure stability diagrams. With these coordinates a successful topological classification of the crystal structures of octet and suboctet binary compounds is obtained, and a clear delineation of the structural classes portraying chemical periodicity is found.

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Crystallography Electrochemistry Hardness Mathematics Journal Article Research Support, U.S. Gov't, Non-P.H.S.Research Support, U.S. Gov't, P.H.S.

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S Shankar, R G Parr. 1985. Electronegativity and hardness as coordinates in structure stability diagrams.. https://doi.org/10.1073/pnas.82.2.264

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