Alkoxy Radical Bond Scissions Explain the Anomalously Low Secondary Organic Aerosol and Organonitrate Yields From alpha-Pinene + NO3

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Kurten , T , Moller , K H , Nguyen , T B , Schwantes , R H , Misztal , P K , Su , L , Wennberg , P O , Fry , J L & Kjaergaard , H G 2017 , ' Alkoxy Radical Bond Scissions Explain the Anomalously Low Secondary Organic Aerosol and Organonitrate Yields From alpha-Pinene + NO3 ' , Journal of Physical Chemistry Letters , vol. 8 , no. 13 , pp. 2826-2834 . https://doi.org/10.1021/acs.jpclett.7b01038

Title: Alkoxy Radical Bond Scissions Explain the Anomalously Low Secondary Organic Aerosol and Organonitrate Yields From alpha-Pinene + NO3
Author: Kurten, Theo; Moller, Kristian H.; Nguyen, Tran B.; Schwantes, Rebecca H.; Misztal, Pawel K.; Su, Luping; Wennberg, Paul O.; Fry, Juliane L.; Kjaergaard, Henrik G.
Contributor: University of Helsinki, Department of Chemistry
Date: 2017-07-06
Language: eng
Number of pages: 9
Belongs to series: Journal of Physical Chemistry Letters
ISSN: 1948-7185
URI: http://hdl.handle.net/10138/224426
Abstract: Oxidation of monoterpenes (C10H16) by nitrate radicals (NO3) constitutes an important source of atmospheric secondary organic aerosol (SOA) and organonitrates. However, knowledge of the mechanisms of their formation is incomplete and differences in yields between similar monoterpenes are poorly understood. In particular, yields of SOA and organonitrates from alpha-pinene + NO3 are low, while those from Delta(3)-carene + NO3 are high. Using computational methods, we suggest that bond scission of the nitrooxy alkoxy radicals from Delta(3)-carene lead to the formation of reactive keto-nitrooxy-alkyl radicals, which retain the nitrooxy moiety and can undergo further reactions to form SOA. By contrast, bond scissions of the nitrooxy alkoxy radicals from alpha-pinene lead almost exclusively to the formation of the relatively unreactive and volatile product pinonaldehyde (C10H16O2), thereby limiting organonitrate and SOA formation. This hypothesis is supported by laboratory experiments that quantify products of the reaction of alpha-pinene + NO3 under atmospherically relevant conditions.
Subject: INITIATED ATMOSPHERIC OXIDATION
CONTROLLED CHEMICAL CONDITIONS
HIGH-NOX ENVIRONMENTS
BIOGENIC HYDROCARBONS
TROPOSPHERIC DEGRADATION
SOA FORMATION
BETA-PINENE
BASIS-SETS
OH
ISOPRENE
116 Chemical sciences
114 Physical sciences
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