Preferred Label : frontier orbitals;
IUPAC acronym : LUMO; HOMO;
IUPAC definition : The i H /i ighest-energy i O /i ccupied i M /i olecular i O /i rbital (HOMO) (filled
or partly filled) and i L /i owest-energy i U /i noccupied i M /i olecular i O
/i rbital (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.;
Origin ID : F02533;
See also
The i H /i ighest-energy i O /i ccupied i M /i olecular i O /i rbital (HOMO) (filled
or partly filled) and i L /i owest-energy i U /i noccupied i M /i olecular i O
/i rbital (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.
