Why are sec-alkylperoxyl bimolecular self-reactions orders of magnitude faster than the analogous reactions of tert-alkylperoxyls? The unanticipated role of CH hydrogen bond donation
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Lee, Richmond; Gryn'ova, Ganna; Ingold, K. U.; Coote, Michelle
Description
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]
Collections | ANU Research Publications |
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Date published: | 2016 |
Type: | Journal article |
URI: | http://hdl.handle.net/1885/209244 |
Source: | Physical Chemistry Chemical Physics |
DOI: | 10.1039/C6CP04670C |
Access Rights: | Open Access |
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File | Description | Size | Format | Image |
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Why are sec-Alkylperoxyl Bimolecular.pdf | 880.06 kB | Adobe PDF |
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