The calculation of fluorine hyperfine interactions in ?-electron radicals

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Abstract
Q factors have been calculated for fluorine hyperfine interaction in π-electron radicals using an independent-electron model for the σ orbitals. It is shown that the off-diagonal elements give an important contribution to fluorine coupling constants. Combining these Q factors with calculated π-electron spin densities of fluoro-nitrobenzenes gives good agreement with experimental coupling constants.