Abstract
Lumiflavin was synthesized, containing 52% isotope 13C substituted in position 12, and the corresponding cation, neutral and anion free radicals were prepared. From the ESR spectra of these radicals the spectra correponding to 100% 13C substitution were calculated. The value of the isotropic coupling constant for both N-5 and C-12 was determined from these spectra and their signs are discussed. With careful choice of σ-π spin polarization parameters, we found that both the anion and cation radicals have almost 50% of the total spin density located on the adjacent N-5 and C-12 stoms. These results are discussed in terms of chemical and biochemical reactivity.
Published Version
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