Theoretical study of the gas phase reaction of methyl acetate with the hydroxyl radical: Structures, mechanisms, rates and temperature dependencies
Publikation: Bidrag til tidsskrift › Tidsskriftartikel › Forskning › fagfællebedømt
The reaction mechanism of hydrogen abstraction from methyl acetate by the hydroxyl radical is investigated theoretically. Four hydrogen abstraction reaction channels were found; the OH radical can abstract either the in-plane or the out-of-plane hydrogen atom on either the methyl group or the methoxy group of methyl acetate. There is a ∼95% probability that the OH radical abstracts an out-of-plane hydrogen atom from the methoxy group.
Originalsprog | Engelsk |
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Tidsskrift | Chemical Physics Letters |
Vol/bind | 490 |
Udgave nummer | 4-6 |
Sider (fra-til) | 116-122 |
Antal sider | 7 |
ISSN | 0009-2614 |
DOI | |
Status | Udgivet - 2010 |
ID: 21086836