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Formation of Highly Oxidized Organic Compounds and Secondary Organic Aerosol from α-Thujene Ozonolysis.

Michelia DamAdam E ThomasJames N Smith
Published in: The journal of physical chemistry. A (2023)
We conducted laboratory chamber experiments to probe the gas- and particle-phase composition of oxidized organics and secondary organic aerosol (SOA) formed from α-thujene ozonolysis under different chemical regimes. The formation of low-volatility compounds was observed using chemical ionization mass spectrometry with nitrate (NO 3 - ) and iodide (I - ) reagent ions. The contribution of measured low-volatility compounds to particle growth was predicted using a simple condensational growth model and found to underpredict the measured growth rates in our chamber (on the order of several nm min -1 ). The yields of low-volatility compounds and SOA mass were similar to those of other monoterpene ozonolysis systems. While semivolatile compounds C 10 H 14-16 O 3-7 were measured most abundantly with I - reagent ion, a large fraction of products measured with NO 3 - were C 5-7 fragments with predicted intermediate volatility. Additionally, particle composition was measured with ultrahigh-performance liquid chromatography with high-resolution mass spectrometry and compared to particle composition from α-pinene ozonolysis. Structural isomers were identified from tandem mass spectrometry analysis of two abundant product ions (C 8 H 13 O 5 - , C 19 H 27 O 7 - ). Our results indicate that although this system efficiently generates low-volatility organics and SOA under the conditions studied, fragmentation pathways that produce more highly volatile products effectively compete with these processes.
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