Trimethylamine Outruns Terpenes and Aromatics in Atmospheric Autoxidation
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Trimethylamine Outruns Terpenes and Aromatics in Atmospheric Autoxidation. / Berndt, Torsten; Møller, Kristian H.; Herrmann, Hartmut; Kjaergaard, Henrik G.
I: Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, Bind 125, Nr. 20, 27.05.2021, s. 4454-4466.Publikation: Bidrag til tidsskrift › Tidsskriftartikel › Forskning › fagfællebedømt
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TY - JOUR
T1 - Trimethylamine Outruns Terpenes and Aromatics in Atmospheric Autoxidation
AU - Berndt, Torsten
AU - Møller, Kristian H.
AU - Herrmann, Hartmut
AU - Kjaergaard, Henrik G.
PY - 2021/5/27
Y1 - 2021/5/27
N2 - Autoxidation in the atmosphere has been realized in the last decade as an important process that forms highly oxidized products relevant for the formation of secondary organic aerosol and likely with detrimental human health effects. It is experimentally shown that the OH radical-initiated oxidation of trimethylamine, the most highly emitted amine in the atmosphere, proceeds via rapid autoxidation steps dominating its atmospheric oxidation process. All three methyl groups are functionalized within a timescale of 10 s following the reaction with OH radicals leading to highly oxidized products. The exceptionally large density of functional groups in the oxidized products is expected to define their chemical properties. A detailed reaction mechanism based on theoretical calculations is able to describe the experimental findings. The comparison with results of the reinvestigated OH radical- and ozone-initiated autoxidation of a series of terpenes and aromatics reveals the trimethylamine process as the most efficient one discovered up to now for atmospheric conditions.
AB - Autoxidation in the atmosphere has been realized in the last decade as an important process that forms highly oxidized products relevant for the formation of secondary organic aerosol and likely with detrimental human health effects. It is experimentally shown that the OH radical-initiated oxidation of trimethylamine, the most highly emitted amine in the atmosphere, proceeds via rapid autoxidation steps dominating its atmospheric oxidation process. All three methyl groups are functionalized within a timescale of 10 s following the reaction with OH radicals leading to highly oxidized products. The exceptionally large density of functional groups in the oxidized products is expected to define their chemical properties. A detailed reaction mechanism based on theoretical calculations is able to describe the experimental findings. The comparison with results of the reinvestigated OH radical- and ozone-initiated autoxidation of a series of terpenes and aromatics reveals the trimethylamine process as the most efficient one discovered up to now for atmospheric conditions.
U2 - 10.1021/acs.jpca.1c02465
DO - 10.1021/acs.jpca.1c02465
M3 - Journal article
C2 - 33978422
VL - 125
SP - 4454
EP - 4466
JO - Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory
JF - Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory
SN - 1089-5639
IS - 20
ER -
ID: 272425474