| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 9770459 | Journal of Molecular Structure | 2005 | 5 Pages |
Abstract
The geometric and electronic structure of the diphenylamine radical cation Ph2(H)N+ obtained by X-irradiation of diphenylamine in CFCl3 at low temperature have been studied by the methods of EPR and ENDOR combined with theoretical calculations. The 110Â K ENDOR spectrum of Ph2(H)N+ is mainly attributed to the ortho and meta phenyl ring protons. The accurate assignment of spectroscopic parameters is based on spectral simulations and theoretical calculations. Close agreement was obtained between the experimental and calculated hyperfine tensors of ortho and meta protons.
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Authors
Wei Liu, Anders Lund,