Assignment of h.f.s. constants of 1,4-benzosemiquinones by additivity rules. The free rotation of t-butyl groups |
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| Authors: | Jens A. Pedersen |
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| Affiliation: | Department of Physical Chemistry , Aarhus University , 140 Langelandsgade, 8000, Aarhus C, Denmark |
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| Abstract: | A set of equations for assigning hyperfine coupling constants of substituted 1,4-benzosemiquinones are presented. The equations, based on additivity rules, yield assignments for a range of substituents with a correlation between predicted and experimental constants to better than five per cent. The investigation shows that t-butyl groups in semiquinones rotate freely against prior assertions. |
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