Acetyl peroxy radical-initiated oxidation of oxygenated monoterpenes: functional group effects on reaction pathways.

ABSTRACT: Biogenic volatile organic compounds are emitted into the atmosphere where they can oxidize forming compounds with lower volatilities. These low-volatility compounds can participate in the formation of secondary organic aerosols (SOAs) that affect human health and the climate in various ways. We studied the oxidation pathways initiated by the acetyl peroxy radical (APR) of less frequently studied oxygenated monoterpenes (monoterpenoids) using computational methods. The studied reactions included APR-addition, ring-opening reactions and C-C bond scissions. Ring-rearrangement after APR-addition was shown to be significant (43% yield) for one bicyclic monoterpenoid, sabinol. All other studied monoterpenoids will mostly react only with O₂ forming a peroxy radical which will go on to

SUBMITTER: Karppinen I 

PROVIDER: S-EPMC12713733 | biostudies-literature | 2026 Feb

REPOSITORIES: biostudies-literature