The β proton hyperfine splitting constants of a large number of positive, negative, and neutral π radicals, have been examined in term of the Heller-McConnell relation aH=Bρ{variant}c cos2θ{symbol} whose validity is discussed. B is taken as a function of the energy of the singly occupied orbital and values are calculated by first order perturbation theory for the cases of a methyl, methylene, and dimethylene group attached to the π system. Substantial agreement is found between theory and experiment indicating the correctness of the postulated cause of the B behaviour. © 1971 Springer-Verlag.
Theoretical study of the variations in the β-protons hyperfine splitting parameter of hydrocarbon radicals
BRUSTOLON, MARINA ROSA;
1971
Abstract
The β proton hyperfine splitting constants of a large number of positive, negative, and neutral π radicals, have been examined in term of the Heller-McConnell relation aH=Bρ{variant}c cos2θ{symbol} whose validity is discussed. B is taken as a function of the energy of the singly occupied orbital and values are calculated by first order perturbation theory for the cases of a methyl, methylene, and dimethylene group attached to the π system. Substantial agreement is found between theory and experiment indicating the correctness of the postulated cause of the B behaviour. © 1971 Springer-Verlag.
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