Articles | Volume 20, issue 12
https://doi.org/10.5194/acp-20-7429-2020
© Author(s) 2020. This work is distributed under
the Creative Commons Attribution 4.0 License.
the Creative Commons Attribution 4.0 License.
https://doi.org/10.5194/acp-20-7429-2020
© Author(s) 2020. This work is distributed under
the Creative Commons Attribution 4.0 License.
the Creative Commons Attribution 4.0 License.
H migration in peroxy radicals under atmospheric conditions
Department of Chemistry, Katholieke Universiteit Leuven,
Celestijnenlaan 200F, 3000 Leuven, Belgium
Max Planck Institute for Chemistry, Hahn-Meitner-Weg 1, 55128 Mainz,
Germany
Institute for Energy and Climate Research, IEK-8: Troposphere,
Forschungszentrum Jülich GmbH, 52428 Jülich, Germany
Barbara Nozière
IRCELYON, CNRS and Université Claude Bernard Lyon, Avenue Albert
Einstein 2, 69626 Villeurbanne, France
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- Rapid Allylic 1,6 H-Atom Transfer in an Unsaturated Criegee Intermediate A. Hansen et al. 10.1021/jacs.2c00055
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- Anthropogenic Volatile Organic Compound (AVOC) Autoxidation as a Source of Highly Oxygenated Organic Molecules (HOM) M. Rissanen 10.1021/acs.jpca.1c06465
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- Chemistry of Simple Organic Peroxy Radicals under Atmospheric through Combustion Conditions: Role of Temperature, Pressure, and NOx Level M. Goldman et al. 10.1021/acs.jpca.1c07203
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- Atmospheric Oxidation of Imine Derivative of Piperazine Initiated by OH Radical T. Almeida & T. Kurtén 10.1021/acsearthspacechem.2c00170
- Theoretical and experimental study of peroxy and alkoxy radicals in the NO3-initiated oxidation of isoprene L. Vereecken et al. 10.1039/D0CP06267G
- A Four Carbon Organonitrate as a Significant Product of Secondary Isoprene Chemistry E. Tsiligiannis et al. 10.1029/2021GL097366
- High-pressure limit rate rules for intramolecular H-migration reactions of α,β-hydroxyalkylperoxy radicals J. Pu et al. 10.1007/s00214-021-02849-3
- Peroxy Radical Autoxidation and Sequential Oxidation in Organic Nitrate Formation during Limonene Nighttime Oxidation R. Mayorga et al. 10.1021/acs.est.2c04030
- Daytime isoprene nitrates under changing NOx and O3 A. Mayhew et al. 10.5194/acp-23-8473-2023
- Unraveling the Autoxidation Mechanisms of Limonene, α-Pinene, and β-Pinene: A Computational Study with Reactivity Prediction Models A. Bhavadharini et al. 10.1021/acs.jpca.4c06819
- Efficient alkane oxidation under combustion engine and atmospheric conditions Z. Wang et al. 10.1038/s42004-020-00445-3
- A systematic study on the kinetics of H-shift reactions in pristine acyl peroxy radicals P. Seal et al. 10.1039/D3CP01833D
- Efficient Production of Carbonyl Sulfide in the Low‐NOx Oxidation of Dimethyl Sulfide C. Jernigan et al. 10.1029/2021GL096838
- Multiconformer transition state theory rate constant and branching ratios for the OH‐initiated reaction of CH3OCF2CHF2 and its primary product, HC(O)OCF2CHF2 L. Viegas 10.1002/poc.4470
- On the similarities and differences between the products of oxidation of hydrocarbons under simulated atmospheric conditions and cool flames R. Benoit et al. 10.5194/acp-21-7845-2021
- Experimental and Theoretical Study of the OH-Initiated Degradation of Piperidine under Simulated Atmospheric Conditions W. Tan et al. 10.1021/acs.jpca.3c08415
- Atmospheric Chemistry of Allylic Radicals from Isoprene: A Successive Cyclization-Driven Autoxidation Mechanism F. Ma et al. 10.1021/acs.est.0c07925
- Effect of the Alkoxy Radical Chemistry on the Ozone Formation from Anthropogenic Organic Compounds Investigated in Chamber Experiments M. Färber et al. 10.1021/acsestair.4c00064
- Atmospheric Autoxidation of Amines K. Møller et al. 10.1021/acs.est.0c03937
- Particle Formation from Photooxidation of αpinene, Limonene, and Myrcene D. Hanson et al. 10.1021/acs.jpca.1c08427
- Using GECKO-A to derive mechanistic understanding of secondary organic aerosol formation from the ubiquitous but understudied camphene I. Afreh et al. 10.5194/acp-21-11467-2021
- Atmospheric photooxidation and ozonolysis of sabinene: reaction rate coefficients, product yields, and chemical budget of radicals J. Pang et al. 10.5194/acp-23-12631-2023
- Energy transfer, pre-reactive complex formation and recombination reactions during the collision of peroxy radicals C. Daub et al. 10.1039/D1CP04720E
- Reactions of C12–C14 n-Alkylcyclohexanes with Cl Atoms: Kinetics and Secondary Organic Aerosol Formation K. Wang et al. 10.1021/acs.est.1c08958
- Gas-phase OH-oxidation of 2-butanethiol: Multiconformer transition state theory rate constant with constrained transition state randomization L. Viegas 10.1016/j.cplett.2022.139829
- A nitrate ion chemical-ionization atmospheric-pressure-interface time-of-flight mass spectrometer (NO3− ToFCIMS) sensitivity study S. Alage et al. 10.5194/amt-17-4709-2024
- Development of a multiphase chemical mechanism to improve secondary organic aerosol formation in CAABA/MECCA (version 4.7.0) F. Wieser et al. 10.5194/gmd-17-4311-2024
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Latest update: 09 Dec 2024
Short summary
Alkyl peroxy radicals, RO2, are important intermediates in the oxidation of organic material in the atmosphere. It was shown earlier that hydrogen atom migration within RO2 can be important and results in the formation of additional oxidants and large highly oxygenated molecules that lead to more and larger aerosols. In this work we propose a method for predicting the chemical rate for these H migrations in RO2, helping atmospheric models to correctly include these reactions.
Alkyl peroxy radicals, RO2, are important intermediates in the oxidation of organic material in...
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