Interpretation of β-hydrogen hyperfine splittings in the electron spin resonance of the 3-methyl-3-phenylbut-1-yl radical

From National Research Council Canada

DOIResolve DOI: https://doi.org/10.1021/j150653a001
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Name affiliation
  1. National Research Council Canada
FormatText
TypeArticle
Journal titleThe Journal of Physical Chemistry
ISSN0022-3654
Volume88
Issue9
Pages1675–1678; # of pages: 4
Abstract
At low temperatures the PhCMe2CH2CH2 radical preferentially adopts a conformation in which the radical center and the phenyl substituent are gauche to each other when viewed along the Cβ-Cγ bond. The β-hydrogens are magnetically nonequivalent and the magnitudes of their hyperfine splitting represent an average over rotation about the Cα-Cβ bond. On the basis of the equation αHβ= 54〈cos2 θ〉 G, we have derived a simple, two-component rotational potential which supports the suggestion that there is a weak, attractive interaction between the singly occupied Cα 2pz orbital and the π-cloud of the phenyl substituent. The conformations of some related radicals are also discussed.
Publication date
LanguageEnglish
Peer reviewedYes
NPARC number21276773
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