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Mechanistic insights into ozone-initiated oxidative degradation of saturated hydrocarbons and polymers

Lee, Richmond; Coote, Michelle

Description

Accurate quantum chemical calculations were employed to investigate the mechanism of ozone-initiated oxidation of C-H bonds of saturated hydrocarbons and polymers. Step wise hydrogen atom abstraction generates the first resting state the trihydroxide -COOOH, which undergoes decomposition to produce the free radical species alkoxyl -CO˙ and peroxyl ˙OOH thereby setting off a complex chain of radical processes. The H transfer from peroxyl radical to alkoxyl allows formation of inactive alcohol...[Show more]

CollectionsANU Research Publications
Date published: 2016-09-21
Type: Journal article
URI: http://hdl.handle.net/1885/209247
Source: Physical chemistry chemical physics : PCCP
DOI: 10.1039/c6cp05064f
Access Rights: Open Access

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