Theoretical Studies of Transannular Interactions. IV. The Electronic States of the Paracyclophane Anion
- 15 December 1966
- journal article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 45 (12), 4639-4642
- https://doi.org/10.1063/1.1727548
Abstract
The π-electronic transition energies of the anion of the D6h benzene dimer have been computed at different interring separations. The transannular overlap is calculated using a carbon SCF atomic orbital. The numerical results are compared to the absorption spectra of the anion of [2,2] paracyclophane. Good agreement with the observed transition energies is found.Keywords
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