Fluorine hyperfine interaction in aromatic anion radicals

Fischer, Peter H. H.; Colpa, J. P.

doi:10.1515/zna-1969-1219

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Fluorine hyperfine interaction in aromatic anion radicals

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Fischer, Peter H. H.
Max Planck Institute for Medical Research, Max Planck Society;

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Citation

Fischer, P. H. H., & Colpa, J. P. (1969). Fluorine hyperfine interaction in aromatic anion radicals. Zeitschrift für Naturforschung, A: Physical Sciences, 24(12), 1980-1988. doi:10.1515/zna-1969-1219.

Cite as: https://hdl.handle.net/11858/00-001M-0000-002D-61EA-4

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 = QFFF ρπFF + QFCC ρπCC + (QFFC + QFFC) ρπFC .

For the Q factors the following values are obtained:

QFFF =931 gauss; QFCC =86.6 gauss and (QFFC + QFFC) =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.