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Mechanisms of Scavenging Reactions of Alizarin with Hydroperoxyl and Methylperoxyl Radicals

Alizarin is anthraquinone with moderate antioxidative capacity. In this work mechanisms of antioxidative activity of alizarin with hydroperoxy and methylperoxy radicals are investigated. All calculations are carried out using B3LYP-D2 method and 6-311+G(d, p) basis set. It is affirmed based on several parameters that hydroxyl group at position 2 is predominant for antiradical activity. PCET mechanism is estimated as favorable mechanism for scavenging activity of alizarin with two selected radicals.

alizarin ; antioxidative activity ; free radicals ; B3LYP-D2 method ; PCET

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