Phys. Chem. Chem. Phys.
 2024
DOI: 10.1039/d3cp06115a
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Pressure and temperature dependent kinetics and the reaction mechanism of Criegee intermediates with vinyl alcohol: a theoretical study

Cuihong Sun,
Baoen Xu,
Yanli Zeng

Abstract: The 1,4-insertion is the main channel for the CH2OO + syn-VA reaction, while the cycloaddition is more competitive in the CH2OO + anti-VA reaction. The dissociation products involving OH radicals are formed at higher temperature and lower pressure.

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