Abstract

The relation between the fluorine hyperfine splittings in about 20 fluorine substituted aromatic radicals and the π spin densities calculated according to McLachlans method is analysed with an expression of the type aF = QF FF ρπ FF + QF CC ρπ CC + (QF FC + QF FC) ρπ FC . For the Q factors the following values are obtained: QF FF =931 gauss; QF CC =86.6 gauss and (QF FC + QF FC) =345 gauss. Two simpler expressions with one and two parameters respectively are also tested. A theoretical estimate is made for the values of the Q factors and the results are compared with the values obtained semi-empirically.

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