A chemical system at a given temperature will evolve to a configuration of maximum
absolute hardness, η, provided that the potential due to the nuclei, plus any external
potential and the
electronic chemical potential, remain constant. In terms of
molecular orbital theory, the highest value of η reflects the highest possible energy gap between the
lowest unoccupied and highest occupied molecular orbitals; this value correlates with
the stability (
See: structural stability; electronic stability) of a system.
Source:
Cite as:
IUPAC. Compendium of Chemical Terminology, 2nd ed. (the "Gold Book"). Compiled by
A. D. McNaught and A. Wilkinson. Blackwell Scientific Publications, Oxford (1997).
XML on-line corrected version: http://goldbook.iupac.org (2006-) created by M. Nic,
J. Jirat, B. Kosata; updates compiled by A. Jenkins. ISBN 0-9678550-9-8.
https://doi.org/10.1351/goldbook.
