McConnell, Harden M. (1957) Vector Model for Indirect Proton Hyperfine Interactions in π-Electron Radicals. Proceedings of the National Academy of Sciences of the United States of America, 43 (8). pp. 721-723. ISSN 0027-8424 http://resolver.caltech.edu/CaltechAUTHORS:MCCpnas57
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Significant information on unpaired electron distributions in molecules, liquids, and solids can sometimes be obtained from magnetic resonance studies of electron-nucleus hyperfine interactions. A particularly important problem in this field involves the proton hyperfine interactions that have been observed in the electron magnetic resonance spectra of a large number of aromatic radicals in solution [1-3]. The problem concerns the theoretical basis for a proposal that the observed hyperfine splitting aN due to aromatic proton N in an aromatic radical can be used to estimate the unpaired spin density ρN at carbon atom N to which proton N is attached, according to the equation [2,4-6] aN = QρN. (1) A semiempirical value of Q derived from observed splittings aN and theoretically calculated spin densities ρN is -30 ± 5 gauss, or -85 ± 15 Mc . Equation (1) has been derived recently using molecular orbital theory with arbitrary π-π configuration interaction . We show here how the simple proportionality in equation (1) may be derived using the Dirac vector model.
|Additional Information:||Copyright © 1957 by the National Academy of Sciences Communicated by Richard M. Badger, June 24, 1957 Supported in part by the Office of Ordnance Research, U.S. Army. Gates and Crellin Laboratories of Chemistry, Contribution No. 2214.|
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|Deposited On:||03 Jan 2007|
|Last Modified:||26 Dec 2012 09:26|
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