The calculation of the E.S.R. hyperfine coupling constants of substituent methyl and methylene group protons
- 1 January 1966
- journal article
- research article
- Published by Taylor & Francis in Molecular Physics
- Vol. 10 (3) , 233-239
- https://doi.org/10.1080/00268976600100321
Abstract
Two formulae have been derived relating the E.S.R. hyperfine coupling constant of methyl and methylene group protons in aromatic radicals to the pi-electronic structure of the radical. The derivation of these formulae assumes that the principal coupling mechanism is hyperconjugation but includes a small spin polarization term. The formulae have been used to calculate theoretical methyl and methylene coupling constants in several radicals whose E.S.R. spectra have been measured.Keywords
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