Absolute electronegativity and hardness correlated with molecular orbital theory
- 1 November 1986
- journal article
- Published by Proceedings of the National Academy of Sciences in Proceedings of the National Academy of Sciences
- Vol. 83 (22) , 8440-8441
- https://doi.org/10.1073/pnas.83.22.8440
Abstract
The concepts of absolute electronegativity, χ, and absolute hardness, η, are incorporated into molecular orbital theory. A graphic and concise definition of hardness is given as twice the energy gap between the highest occupied molecular orbital and the lowest unoccupied molecular orbital. Useful correlations can now be made between chemical behavior, visible-UV absorption spectra, optical polarizability, ionization potentials, and electron affinities.Keywords
This publication has 1 reference indexed in Scilit:
- Hardness, softness, and the fukui function in the electronic theory of metals and catalysis.Proceedings of the National Academy of Sciences, 1985