EPR spectra of the trimethyl-1,4-benzoquinone anion-radical: Results of calculations by the density functional method and their comparison with experimentстатья
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Дата последнего поиска статьи во внешних источниках: 19 июля 2013 г.
Местоположение издательства:Road Town, United Kingdom
Первая страница:1543
Последняя страница:1547
Аннотация:Constants of the isotropic hyperfine interaction of an unpaired electron with the hydrogen nuclei of the trimethyl-1,4-benzoquinone anion-radical were calculated using the density functional method. The EPR spectrum of the radical was simulated on the basis of these calculations, which were in good agreement with the experimental EPR spectrum of trimethyl-1,4-benzosemiquinone dissolved in dimethylsulfoxide.