Articles | Volume 20, issue 12
Research article
26 Jun 2020
Research article |  | 26 Jun 2020

H migration in peroxy radicals under atmospheric conditions

Luc Vereecken and Barbara Nozière

Related authors

Quantum Yields of CHDO above 300 nm
Ernst-Peter Röth and Luc Vereecken
EGUsphere,,, 2023
This preprint is open for discussion and under review for Atmospheric Chemistry and Physics (ACP).
Short summary
Formation of highly oxygenated organic molecules from the oxidation of limonene by OH radical: significant contribution of H-abstraction pathway
Hao Luo, Luc Vereecken, Hongru Shen, Sungah Kang, Iida Pullinen, Mattias Hallquist, Hendrik Fuchs, Andreas Wahner, Astrid Kiendler-Scharr, Thomas F. Mentel, and Defeng Zhao
Atmos. Chem. Phys., 23, 7297–7319,,, 2023
Short summary
Comparison of isoprene chemical mechanisms under atmospheric night-time conditions in chamber experiments: evidence of hydroperoxy aldehydes and epoxy products from NO3 oxidation
Philip T. M. Carlsson, Luc Vereecken, Anna Novelli, François Bernard, Steven S. Brown, Bellamy Brownwood, Changmin Cho, John N. Crowley, Patrick Dewald, Peter M. Edwards, Nils Friedrich, Juliane L. Fry, Mattias Hallquist, Luisa Hantschke, Thorsten Hohaus, Sungah Kang, Jonathan Liebmann, Alfred W. Mayhew, Thomas Mentel, David Reimer, Franz Rohrer, Justin Shenolikar, Ralf Tillmann, Epameinondas Tsiligiannis, Rongrong Wu, Andreas Wahner, Astrid Kiendler-Scharr, and Hendrik Fuchs
Atmos. Chem. Phys., 23, 3147–3180,,, 2023
Short summary
Identification of highly oxygenated organic molecules and their role in aerosol formation in the reaction of limonene with nitrate radical
Yindong Guo, Hongru Shen, Iida Pullinen, Hao Luo, Sungah Kang, Luc Vereecken, Hendrik Fuchs, Mattias Hallquist, Ismail-Hakki Acir, Ralf Tillmann, Franz Rohrer, Jürgen Wildt, Astrid Kiendler-Scharr, Andreas Wahner, Defeng Zhao, and Thomas F. Mentel
Atmos. Chem. Phys., 22, 11323–11346,,, 2022
Short summary
Estimation of mechanistic parameters in the gas-phase reactions of ozone with alkenes for use in automated mechanism construction
Mike J. Newland, Camille Mouchel-Vallon, Richard Valorso, Bernard Aumont, Luc Vereecken, Michael E. Jenkin, and Andrew R. Rickard
Atmos. Chem. Phys., 22, 6167–6195,,, 2022
Short summary

Related subject area

Subject: Gases | Research Activity: Atmospheric Modelling and Data Analysis | Altitude Range: Troposphere | Science Focus: Chemistry (chemical composition and reactions)
Benefits of net-zero policies for future ozone pollution in China
Zhenze Liu, Oliver Wild, Ruth M. Doherty, Fiona M. O'Connor, and Steven T. Turnock
Atmos. Chem. Phys., 23, 13755–13768,,, 2023
Short summary
Simulating impacts on UK air quality from net-zero forest planting scenarios
Gemma Purser, Mathew R. Heal, Edward J. Carnell, Stephen Bathgate, Julia Drewer, James I. L. Morison, and Massimo Vieno
Atmos. Chem. Phys., 23, 13713–13733,,, 2023
Short summary
Understanding offshore high-ozone events during TRACER-AQ 2021 in Houston: insights from WRF–CAMx photochemical modeling
Wei Li, Yuxuan Wang, Xueying Liu, Ehsan Soleimanian, Travis Griggs, James Flynn, and Paul Walter
Atmos. Chem. Phys., 23, 13685–13699,,, 2023
Short summary
Opinion: Establishing a science-into-policy process for tropospheric ozone assessment
Richard G. Derwent, David D. Parrish, and Ian C. Faloona
Atmos. Chem. Phys., 23, 13613–13623,,, 2023
Short summary
Atmospheric composition and climate impacts of a future hydrogen economy
Nicola J. Warwick, Alex T. Archibald, Paul T. Griffiths, James Keeble, Fiona M. O'Connor, John A. Pyle, and Keith P. Shine
Atmos. Chem. Phys., 23, 13451–13467,,, 2023
Short summary

Cited articles

Asatryan, R., da Silva, G., and Bozzelli, J. W.: Quantum Chemical Study of the Acrolein (CH2CHCHO) + OH + O2 Reactions, J. Phys. Chem. A, 114, 8302–8311,, 2010. 
Atkinson, R.: Gas-phase tropospheric chemistry of organic compounds: a review, Atmos. Environ., 41, Supplement, 200–240,, 2007. 
Bao, J. L., Zheng, J., Alecu, I. M., Lynch, B. J., Zhao, Y., and Truhlar, D. G.: Database of Frequency Scale Factors for Electronic Model Chemistries (Version 3 Beta 2), available at: (last access: 18 June 2020), 2017. 
Barrows, S. E. and Eberlein, T. H.: Cis and trans isomers of cycloalkenes, J. Chem. Educ., 82, 1334–1339,, 2005. 
Battin-Leclerc, F., Blurock, E., Bounaceur, R., Fournet, R., Glaude, P.-A., Herbinet, O., Sirjean, B., and Warth, V.: Towards cleaner combustion engines through groundbreaking detailed chemical kinetic models, Chem. Soc. Rev., 40, 4762–4782,, 2011. 
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.
Final-revised paper