Lee, Richmond; Gryn'ova, Ganna; Ingold, K. U.; Coote, Michelle
High-level ab initio calculations are used to identify the mechanism of secondary (and primary)
alkylperoxyl radical termination and explain why their reactions are much faster than their tertiary
counterparts. Contrary to existing literature, the decomposition of both tertiary and non-tertiary
tetroxides follows the same asymmetric two-step bond cleavage pathway to form a caged intermediate
of overall singlet multiplicity comprising triplet oxygen and two alkoxyl radicals. The alpha...[Show more]
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