Abstract
The anomalies in the symmetry of disubstituted benzenes were analyzed. The perturbation affects only the energy of the lowest occupied π level and that of the highest unoccupied π level. The same feature was observed for other annulenes and the connection with Berry's phase problem was also discussed.
Original language | English (US) |
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Pages (from-to) | 1428-1439 |
Number of pages | 12 |
Journal | International Journal of Quantum Chemistry |
Volume | 90 |
Issue number | 4-5 |
DOIs | |
State | Published - Nov 15 2002 |
Keywords
- Donor and acceptor groups
- Free electron model
- Hückel method
- Orbital degeneracy
- Perturbation theory
- Substituted benzenes
ASJC Scopus subject areas
- Atomic and Molecular Physics, and Optics
- Condensed Matter Physics
- Physical and Theoretical Chemistry