Abstract
| - A B3LYP computational study of the reaction of a methylperoxy radical with alkyl aminoethershas been performed, which represents a key step in polymer stabilization promoted by hindered-amine lightstabilizers (HALS). In the most realistic model studied, a nitrogen oxidation mechanism is favored with respectto the SH2 process known as the Denisov reaction. Nonetheless, the activation energy difference for the tworeactions is less than 3 kcal/mol. We suggest that both mechanisms contribute to HALS-promoted polymerstabilization.
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