The electron spin resonance spectrum of the biphenyl radical cation
- 1 January 1984
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in Journal of the Chemical Society, Perkin Transactions 2
- No. 7,p. 1197-1200
- https://doi.org/10.1039/p29840001197
Abstract
The e.s.r. spectrum of the biphenyl radical cation, Ph2 +· has been observed from the photolysis of benzene or biphenyl and mercury(II) trifluoroacetate in trifluoroacetic acid. The hyperfine coupling constants of Ph2 +· and Ph2 –· are compared with the predictions of various modifications of the Hückel-McConnell approximation, and it is concluded that this provides no evidence that these species are anything but planar. UHF/MINDO/3 calculations have been carried out on Ph2, Ph2 +·, and Ph2 –·, and lead to dihedral angles of 6.5 and 6.8° for the radical cation and anion, respectively, with negligible energy differences between the planar and fully optimised structures.Keywords
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