Abstract
Topological analysis of the electron density distribution in the [2.2]paracyclophane radical anion and radical cation based on the results of B3PW91/6-31+G(d) calculations revealed that reduction of the electron affinity energy down to –0.5 eV (more than a twofold decrease compared to benzene) is a result of transannular interaction between the benzene rings.
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Fedyanin, I.V., Lyssenko, K.A., Starikova, Z.A. et al. Stabilization of [2.2]paracyclophane anion as a result of transannular interaction. Russian Chemical Bulletin 53, 1153–1158 (2004). https://doi.org/10.1023/B:RUCB.0000042267.48995.77
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DOI: https://doi.org/10.1023/B:RUCB.0000042267.48995.77