Symmetry anomaly in disubstituted benzenes

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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.

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André, J. M., Brédas, J. L., Coropceanu, V., & Silbey, R. J. (2002). Symmetry anomaly in disubstituted benzenes. International Journal of Quantum Chemistry, 90(4–5), 1428–1439. https://doi.org/10.1002/qua.10379

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