E.s.r. evidence for the static distortion of 2E1g benzene cations giving 2B2g with D 2h symmetry in low temperature matrices
- 1 January 1983
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in Journal of the Chemical Society, Chemical Communications
- No. 6,p. 320-322
- https://doi.org/10.1039/c39830000320
Abstract
We have obtained clear e.s.r. evidence that the orbital degeneracy of 2E1g benzene cations is removed at 4.2 K in Freon matrices and the unpaired electron occupies the b2g orbital with D2h symmetry, giving major spin densities on the C(1) and C(4) atoms; however the six carbon atoms become equivalent at >ca. 100 K by dynamic averaging.Keywords
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