The ozonolysis of alkenes is a critical reaction in the troposphere, and a major daytime and nighttime source of OH radicals.  Formation of Criegee intermediates – carbonyl oxide compounds – are a key step in alkene ozonolysis.  Recent synthetic developments have made it possible to produce and stabilize a range of Criegee intermediates for spectroscopic and kinetic studies.  We present the results of recent computational and modeling studies of Criegee intermediates, leading to microcanonical (k(E)) and thermal (k(T)) rates of unimolecular decay.  Our focus is on the Criegee intermediates that arise from the ozonolysis of isoprene (2-methyl-1,3-butadiene), the most abundant naturally occurring volatile alkene, and model systems.  The atmospheric implications of these data will be discussed.<br/>

Kinetic studies on unimolecular processes in Criegee intermediates

2019 Fall National Meeting

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