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Abstract
Abstract The phenoxyl radical 1•, generated by the reaction of a vitamin E model, 2,2,5,7,8-pentamethylchroman-6-ol (1H), with 2,2-bis(4-tert-octylphenyl)-1-picrylhydrazyl (DOPPH•), was significantly stabilized by complex formation with Mg2+ in deaerated acetonitrile at 298 K. The assignments of the hyperfine coupling constants (hfc) obtained by computer simulations of the observed EPR spectrum of the Mg2+ complex of 1• (Mg2+–1•), were carried out using three deuterated isotopomers of 1•, i.e., 5-CD3-1•, 7-CD3-1•, and 8-CD3-1•, where a methyl group at the C5, C7, or C8 position is replaced by a CD3 group, respectively. The decreased spin density of the benzene ring in the Mg2+–1• complex indicates that delocalization of the unpaired electron in 1• into Mg2+ by complexation between Mg2+ and 1• results in the enhanced stability of 1• in the presence of Mg2+.
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