Symmetry anomaly in disubstituted benzenes

J. M. André; J. L. Brédas; V. Coropceanu; R. J. Silbey

doi:10.1002/qua.10379

Symmetry anomaly in disubstituted benzenes

J. M. André, J. L. Brédas, V. Coropceanu, R. J. Silbey

Chemistry and Biochemistry

Research output: Contribution to journal › Article › peer-review

1 Scopus citations

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)
Pages (from-to)	1428-1439
Number of pages	12
Journal	International Journal of Quantum Chemistry
Volume	90
Issue number	4-5
DOIs	https://doi.org/10.1002/qua.10379
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

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10.1002/qua.10379

Cite this

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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.",

keywords = "Donor and acceptor groups, Free electron model, H{\"u}ckel method, Orbital degeneracy, Perturbation theory, Substituted benzenes",

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AU - André, J. M.

AU - Brédas, J. L.

AU - Coropceanu, V.

AU - Silbey, R. J.

PY - 2002/11/15

Y1 - 2002/11/15

N2 - 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.

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KW - Free electron model

KW - Hückel method

KW - Orbital degeneracy

KW - Perturbation theory

KW - Substituted benzenes

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Symmetry anomaly in disubstituted benzenes

Abstract

Keywords

ASJC Scopus subject areas

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