Temperature-Dependent Kinetics of the Reactions of the Criegee Intermediate CH₂OO with Aliphatic Aldehydes.

ABSTRACT: Criegee intermediates, formed by alkene ozonolysis in the troposphere, can react with volatile organic compounds (VOCs). The temperature-dependent kinetics of the reactions between the Criegee intermediate CH₂OO and three aliphatic aldehydes, RCHO where R = H, CH₃, and C₂H₅ (formaldehyde, acetaldehyde, and propionaldehyde, respectively), have been studied using a laser flash-photolysis transient absorption spectroscopy technique. The experimental measurements are supported by ab initio calculations at various composite levels of theory that characterize stationary points on the reaction potential and free energy surfaces. As with other reactions of CH₂OO with organic carbonyls, the mechanisms involve 1,3-dipolar cycloaddition at

SUBMITTER: Enders JJ 

PROVIDER: S-EPMC11421089 | biostudies-literature | 2024 Sep

REPOSITORIES: biostudies-literature