The
Highest-energy
Occupied
Molecular
Orbital
(
HOMO) (filled or partly filled) and
Lowest-energy
Unoccupied
Molecular
Orbital
(
LUMO) (completely or partly vacant) of a
molecular entity. Examination of the mixing of frontier molecular orbitals of reacting molecular entities
affords an approach to the interpretation of reaction behaviour; this constitutes
a simplified perturbation
molecular orbital theory of chemical behaviour.
Source:
PAC, 1994, 66, 1077
(Glossary of terms used in physical organic chemistry (IUPAC Recommendations 1994))
on page 1116
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.
