An ESR study of an α-bromofluoro π-radical: Determination of the relative signs of the hyperfine and quadrupole couplings
- 1 July 1980
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 73 (1) , 81-86
- https://doi.org/10.1063/1.439838
Abstract
An ESR study has been carried out for the bromofluoro alkyl π‐radical, ĊBrFCOOH, trapped in x‐ray irradiated bromofluoroacetic acid crystals. Strong forbidden transitions, especially ΔM Br=±2 transitions are observed and it has been possible to determine the relative signs of the principal components of the α‐bromine hyperfine A and quadrupoleQtensors. Analysis shows that these signs are different from those previously assumed. The principal values obtained were equal to A = ( + 108, + 39, + 22)±7 G, and Q = ( – 13, + 18, –5)±2 G for 81Br and A = (196, 20, 0) G for 19F. The nature of the chemical bond and the geometry of the radical have been deduced from these tensors.Keywords
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