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One-Electron Oxidation and Reduction Potentials of Nitroxide Antioxidants: A Theoretical Study

Hodgson, Jennifer; Namazian, Mansoor; Bottle, Steven E; Coote, Michelle


High-level ab initio calculations have been used to determine the oxidation and reduction potentials of a large number of nitroxides including derivatives of piperidine, pyrrolidine, isoindoline, and azaphenalene, substituted with COOH, NH2, NH3+, OCH3, OH, and NO2 groups, with a view to (a) identifying a low-cost theoretical procedures for the determination of electrode potentials of nitroxides and (b) studying the effect of substituents on these systems. Accurate oxidation and reduction...[Show more]

CollectionsANU Research Publications
Date published: 2007
Type: Journal article
Source: Journal of Physical Chemistry A
DOI: 10.1021/jp074250e


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