¹H, ²H, ¹⁹F, ¹⁴N ENDOR and TRIPLE resonance investigations of substituted flavin radicals in their different protonation states

A variety of isotopically labelled and/or substituted flavins have been converted into their corresponding radical states. Cation and neutral radicals were generated chemically and anion radicals were obtained electrochemically. By performing ENDOR and TRIPLE resonance experiments, complete sets of hyperfine coupling constants including their signs were accessible. The hyperfine data allowed (a) identification of the radical state present, (b) information to be obtained about the preferred conformational arrangements of the substituents and (c) conclusions to be drawn about the influences of the substituents on the spin density distributions of the different radical states.