Articles | Volume 20, issue 6
https://doi.org/10.5194/acp-20-3333-2020
© 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-20-3333-2020
© Author(s) 2020. This work is distributed under
the Creative Commons Attribution 4.0 License.
the Creative Commons Attribution 4.0 License.
Research article
| 
20 Mar 2020
Research article |
| 20 Mar 2020
| 20 Mar 2020
Importance of isomerization reactions for OH radical regeneration from the photo-oxidation of isoprene investigated in the atmospheric simulation chamber SAPHIR
Forschungszentrum Jülich, Institute for Energy and Climate
Research: Troposphere (IEK-8), 52425 Jülich, Germany
Luc Vereecken
Forschungszentrum Jülich, Institute for Energy and Climate
Research: Troposphere (IEK-8), 52425 Jülich, Germany
Birger Bohn
Forschungszentrum Jülich, Institute for Energy and Climate
Research: Troposphere (IEK-8), 52425 Jülich, Germany
Hans-Peter Dorn
Forschungszentrum Jülich, Institute for Energy and Climate
Research: Troposphere (IEK-8), 52425 Jülich, Germany
Georgios I. Gkatzelis
Forschungszentrum Jülich, Institute for Energy and Climate
Research: Troposphere (IEK-8), 52425 Jülich, Germany
now at: NOAA Earth Systems Research Laboratory, Boulder, Colorado
80305, USA
now at: Cooperative Institute for Research in Environmental Sciences,
Boulder, Colorado 80309, USA
Andreas Hofzumahaus
Forschungszentrum Jülich, Institute for Energy and Climate
Research: Troposphere (IEK-8), 52425 Jülich, Germany
Frank Holland
Forschungszentrum Jülich, Institute for Energy and Climate
Research: Troposphere (IEK-8), 52425 Jülich, Germany
David Reimer
Forschungszentrum Jülich, Institute for Energy and Climate
Research: Troposphere (IEK-8), 52425 Jülich, Germany
Franz Rohrer
Forschungszentrum Jülich, Institute for Energy and Climate
Research: Troposphere (IEK-8), 52425 Jülich, Germany
Simon Rosanka
Forschungszentrum Jülich, Institute for Energy and Climate
Research: Troposphere (IEK-8), 52425 Jülich, Germany
Domenico Taraborrelli
Forschungszentrum Jülich, Institute for Energy and Climate
Research: Troposphere (IEK-8), 52425 Jülich, Germany
Ralf Tillmann
Forschungszentrum Jülich, Institute for Energy and Climate
Research: Troposphere (IEK-8), 52425 Jülich, Germany
Robert Wegener
Forschungszentrum Jülich, Institute for Energy and Climate
Research: Troposphere (IEK-8), 52425 Jülich, Germany
Zhujun Yu
Forschungszentrum Jülich, Institute for Energy and Climate
Research: Troposphere (IEK-8), 52425 Jülich, Germany
now at: Institute of Mass Spectrometry and Atmospheric
Environment, Jinan University, Guangzhou 510632, China
Astrid Kiendler-Scharr
Forschungszentrum Jülich, Institute for Energy and Climate
Research: Troposphere (IEK-8), 52425 Jülich, Germany
Andreas Wahner
Forschungszentrum Jülich, Institute for Energy and Climate
Research: Troposphere (IEK-8), 52425 Jülich, Germany
Hendrik Fuchs
Forschungszentrum Jülich, Institute for Energy and Climate
Research: Troposphere (IEK-8), 52425 Jülich, Germany
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Cited
48 citations as recorded by crossref.
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- Molecular composition and volatility of multi-generation products formed from isoprene oxidation by nitrate radical R. Wu et al. 10.5194/acp-21-10799-2021
- Role of chemical production and depositional losses on formaldehyde in the Community Regional Atmospheric Chemistry Multiphase Mechanism (CRACMM) T. Skipper et al. 10.5194/acp-24-12903-2024
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- Weekly derived top-down volatile-organic-compound fluxes over Europe from TROPOMI HCHO data from 2018 to 2021 G. Oomen et al. 10.5194/acp-24-449-2024
- Comparison of Isoprene Chemical Mechanisms with Chamber and Field Observations W. Brune et al. 10.1021/acsearthspacechem.4c00196
- Review of technologies and their applications for the speciated detection of RO2 radicals Y. Gao et al. 10.1016/j.jes.2022.09.028
- OH and HO<sub>2</sub> radical chemistry in a midlatitude forest: measurements and model comparisons M. Lew et al. 10.5194/acp-20-9209-2020
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- A computer-based solution to the oxidation kinetics of fluorinated and oxygenated volatile organic compounds L. Viegas & F. Jensen 10.1039/D2EA00164K
- Simplified Protocol for the Calculation of Multiconformer Transition State Theory Rate Constants Applied to Tropospheric OH-Initiated Oxidation Reactions L. Viegas 10.1021/acs.jpca.1c00683
- Atmospheric Autoxidation of Amines K. Møller et al. 10.1021/acs.est.0c03937
- Reconciling Observed and Predicted Tropical Rainforest OH Concentrations D. Jeong et al. 10.1029/2020JD032901
- 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
- Spiers Memorial Lecture: Theory of unimolecular reactions S. Klippenstein 10.1039/D2FD00125J
- Investigation of the limonene photooxidation by OH at different NO concentrations in the atmospheric simulation chamber SAPHIR (Simulation of Atmospheric PHotochemistry In a large Reaction Chamber) J. Pang et al. 10.5194/acp-22-8497-2022
- Comprehensive Theoretical Study on Four Typical Intramolecular Hydrogen Shift Reactions of Peroxy Radicals: Multireference Character, Recommended Model Chemistry, and Kinetics Y. Li et al. 10.1021/acs.jctc.3c00033
- OH measurements in the coastal atmosphere of South China: possible missing OH sinks in aged air masses Z. Zou et al. 10.5194/acp-23-7057-2023
- The reaction of organic peroxy radicals with unsaturated compounds controlled by a non-epoxide pathway under atmospheric conditions B. Nozière et al. 10.1039/D2CP05166D
- 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
- H migration in peroxy radicals under atmospheric conditions L. Vereecken & B. Nozière 10.5194/acp-20-7429-2020
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- Characterization of a chemical modulation reactor (CMR) for the measurement of atmospheric concentrations of hydroxyl radicals with a laser-induced fluorescence instrument C. Cho et al. 10.5194/amt-14-1851-2021
- 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
- Experimental chemical budgets of OH, HO2, and RO2 radicals in rural air in western Germany during the JULIAC campaign 2019 C. Cho et al. 10.5194/acp-23-2003-2023
- Photooxidation of pinonaldehyde at ambient conditions investigated in the atmospheric simulation chamber SAPHIR M. Rolletter et al. 10.5194/acp-20-13701-2020
- A Four Carbon Organonitrate as a Significant Product of Secondary Isoprene Chemistry E. Tsiligiannis et al. 10.1029/2021GL097366
- Optimizing the iodide-adduct chemical ionization mass spectrometry (CIMS) quantitative method for toluene oxidation intermediates: experimental insights into functional-group differences M. Song et al. 10.5194/amt-17-5113-2024
- Inferring the diurnal variability of OH radical concentrations over the Amazon from BVOC measurements A. Ringsdorf et al. 10.1038/s41598-023-41748-4
- Quantifying bimolecular reaction kinetics of isoprene hydroxy peroxy radical: From dry to highly humid atmospheric environment J. Xu & Z. Chen 10.1016/j.atmosenv.2024.120627
- Theoretical and experimental study of peroxy and alkoxy radicals in the NO3-initiated oxidation of isoprene L. Vereecken et al. 10.1039/D0CP06267G
- Comparison of formaldehyde measurements by Hantzsch, CRDS and DOAS in the SAPHIR chamber M. Glowania et al. 10.5194/amt-14-4239-2021
- Unclassical Radical Generation Mechanisms in the Troposphere: A Review X. Yang et al. 10.1021/acs.est.4c00742
- Atmospheric photo-oxidation of myrcene: OH reaction rate constant, gas-phase oxidation products and radical budgets Z. Tan et al. 10.5194/acp-21-16067-2021
- Diastereomers and Low-Temperature Oxidation A. Danilack et al. 10.1021/acs.jpca.1c05635
- How non-equilibrium aerosol chemistry impacts particle acidity: the GMXe AERosol CHEMistry (GMXe–AERCHEM, v1.0) sub-submodel of MESSy S. Rosanka et al. 10.5194/gmd-17-2597-2024
- 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
- Comparison of isoprene chemical mechanisms under atmospheric night-time conditions in chamber experiments: evidence of hydroperoxy aldehydes and epoxy products from NO3 oxidation P. Carlsson et al. 10.5194/acp-23-3147-2023
- Reaction pathways leading to HPALD intermediates in the OH-initiated oxidation of isoprene P. Szabó et al. 10.1039/D4CP02106A
- Theoretical Kinetics studies of isoprene peroxy radical chemistry: The fate of Z-δ-(4-OH, 1-OO)-ISOPOO radical Y. Li et al. 10.1016/j.ecoenv.2023.115553
- Atmospheric Degradation of Two Hydrofluoroketones: Theoretical Rate Constants for the Gas-Phase OH-Oxidation of HFK-447mcc and HFK-465mc L. Viegas 10.3390/atmos13081256
- OH, HO2, and RO2 radical chemistry in a rural forest environment: measurements, model comparisons, and evidence of a missing radical sink B. Bottorff et al. 10.5194/acp-23-10287-2023
48 citations as recorded by crossref.
- Direct Measurements of Isoprene Autoxidation: Pinpointing Atmospheric Oxidation in Tropical Forests D. J. Medeiros et al. 10.1021/jacsau.1c00525
- A Multiconformational Transition State Theory Approach to OH Tropospheric Degradation of Fluorotelomer Aldehydes L. Viegas 10.1002/cphc.202300259
- Airborne glyoxal measurements in the marine and continental atmosphere: comparison with TROPOMI observations and EMAC simulations F. Kluge et al. 10.5194/acp-23-1369-2023
- A structure activity relationship for ring closure reactions in unsaturated alkylperoxy radicals L. Vereecken et al. 10.1039/D1CP02758A
- Bias correction of OMI HCHO columns based on FTIR and aircraft measurements and impact on top-down emission estimates J. Müller et al. 10.5194/acp-24-2207-2024
- With a little help from our (AI) friend: A general transition state sampling method for tropospheric hydrogen abstraction reactions L. Viegas & B. Galvão 10.1016/j.atmosenv.2024.120515
- Molecular composition and volatility of multi-generation products formed from isoprene oxidation by nitrate radical R. Wu et al. 10.5194/acp-21-10799-2021
- Role of chemical production and depositional losses on formaldehyde in the Community Regional Atmospheric Chemistry Multiphase Mechanism (CRACMM) T. Skipper et al. 10.5194/acp-24-12903-2024
- H-shift and cyclization reactions in unsaturated alkylperoxy radicals near room temperature: propagating or terminating autoxidation? B. Nozière & L. Vereecken 10.1039/D4CP02718C
- Weekly derived top-down volatile-organic-compound fluxes over Europe from TROPOMI HCHO data from 2018 to 2021 G. Oomen et al. 10.5194/acp-24-449-2024
- Comparison of Isoprene Chemical Mechanisms with Chamber and Field Observations W. Brune et al. 10.1021/acsearthspacechem.4c00196
- Review of technologies and their applications for the speciated detection of RO2 radicals Y. Gao et al. 10.1016/j.jes.2022.09.028
- OH and HO<sub>2</sub> radical chemistry in a midlatitude forest: measurements and model comparisons M. Lew et al. 10.5194/acp-20-9209-2020
- 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
- A computer-based solution to the oxidation kinetics of fluorinated and oxygenated volatile organic compounds L. Viegas & F. Jensen 10.1039/D2EA00164K
- Simplified Protocol for the Calculation of Multiconformer Transition State Theory Rate Constants Applied to Tropospheric OH-Initiated Oxidation Reactions L. Viegas 10.1021/acs.jpca.1c00683
- Atmospheric Autoxidation of Amines K. Møller et al. 10.1021/acs.est.0c03937
- Reconciling Observed and Predicted Tropical Rainforest OH Concentrations D. Jeong et al. 10.1029/2020JD032901
- 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
- Spiers Memorial Lecture: Theory of unimolecular reactions S. Klippenstein 10.1039/D2FD00125J
- Investigation of the limonene photooxidation by OH at different NO concentrations in the atmospheric simulation chamber SAPHIR (Simulation of Atmospheric PHotochemistry In a large Reaction Chamber) J. Pang et al. 10.5194/acp-22-8497-2022
- Comprehensive Theoretical Study on Four Typical Intramolecular Hydrogen Shift Reactions of Peroxy Radicals: Multireference Character, Recommended Model Chemistry, and Kinetics Y. Li et al. 10.1021/acs.jctc.3c00033
- OH measurements in the coastal atmosphere of South China: possible missing OH sinks in aged air masses Z. Zou et al. 10.5194/acp-23-7057-2023
- The reaction of organic peroxy radicals with unsaturated compounds controlled by a non-epoxide pathway under atmospheric conditions B. Nozière et al. 10.1039/D2CP05166D
- 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
- H migration in peroxy radicals under atmospheric conditions L. Vereecken & B. Nozière 10.5194/acp-20-7429-2020
- Improvements to the representation of BVOC chemistry–climate interactions in UKCA (v11.5) with the CRI-Strat 2 mechanism: incorporation and evaluation J. Weber et al. 10.5194/gmd-14-5239-2021
- Simulation of organics in the atmosphere: evaluation of EMACv2.54 with the Mainz Organic Mechanism (MOM) coupled to the ORACLE (v1.0) submodel A. Pozzer et al. 10.5194/gmd-15-2673-2022
- Characterization of a chemical modulation reactor (CMR) for the measurement of atmospheric concentrations of hydroxyl radicals with a laser-induced fluorescence instrument C. Cho et al. 10.5194/amt-14-1851-2021
- 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
- Experimental chemical budgets of OH, HO2, and RO2 radicals in rural air in western Germany during the JULIAC campaign 2019 C. Cho et al. 10.5194/acp-23-2003-2023
- Photooxidation of pinonaldehyde at ambient conditions investigated in the atmospheric simulation chamber SAPHIR M. Rolletter et al. 10.5194/acp-20-13701-2020
- A Four Carbon Organonitrate as a Significant Product of Secondary Isoprene Chemistry E. Tsiligiannis et al. 10.1029/2021GL097366
- Optimizing the iodide-adduct chemical ionization mass spectrometry (CIMS) quantitative method for toluene oxidation intermediates: experimental insights into functional-group differences M. Song et al. 10.5194/amt-17-5113-2024
- Inferring the diurnal variability of OH radical concentrations over the Amazon from BVOC measurements A. Ringsdorf et al. 10.1038/s41598-023-41748-4
- Quantifying bimolecular reaction kinetics of isoprene hydroxy peroxy radical: From dry to highly humid atmospheric environment J. Xu & Z. Chen 10.1016/j.atmosenv.2024.120627
- Theoretical and experimental study of peroxy and alkoxy radicals in the NO3-initiated oxidation of isoprene L. Vereecken et al. 10.1039/D0CP06267G
- Comparison of formaldehyde measurements by Hantzsch, CRDS and DOAS in the SAPHIR chamber M. Glowania et al. 10.5194/amt-14-4239-2021
- Unclassical Radical Generation Mechanisms in the Troposphere: A Review X. Yang et al. 10.1021/acs.est.4c00742
- Atmospheric photo-oxidation of myrcene: OH reaction rate constant, gas-phase oxidation products and radical budgets Z. Tan et al. 10.5194/acp-21-16067-2021
- Diastereomers and Low-Temperature Oxidation A. Danilack et al. 10.1021/acs.jpca.1c05635
- How non-equilibrium aerosol chemistry impacts particle acidity: the GMXe AERosol CHEMistry (GMXe–AERCHEM, v1.0) sub-submodel of MESSy S. Rosanka et al. 10.5194/gmd-17-2597-2024
- 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
- Comparison of isoprene chemical mechanisms under atmospheric night-time conditions in chamber experiments: evidence of hydroperoxy aldehydes and epoxy products from NO3 oxidation P. Carlsson et al. 10.5194/acp-23-3147-2023
- Reaction pathways leading to HPALD intermediates in the OH-initiated oxidation of isoprene P. Szabó et al. 10.1039/D4CP02106A
- Theoretical Kinetics studies of isoprene peroxy radical chemistry: The fate of Z-δ-(4-OH, 1-OO)-ISOPOO radical Y. Li et al. 10.1016/j.ecoenv.2023.115553
- Atmospheric Degradation of Two Hydrofluoroketones: Theoretical Rate Constants for the Gas-Phase OH-Oxidation of HFK-447mcc and HFK-465mc L. Viegas 10.3390/atmos13081256
- OH, HO2, and RO2 radical chemistry in a rural forest environment: measurements, model comparisons, and evidence of a missing radical sink B. Bottorff et al. 10.5194/acp-23-10287-2023
Latest update: 23 Dec 2024
Short summary
Experimental evidence from a simulation chamber study shows that the regeneration efficiency of the hydroxyl radical is maintained globally at values higher than 0.5 for a wide range of nitrogen oxide concentrations as a result of isomerizations of peroxy radicals originating from the OH oxidation of isoprene. The available models were tested, and suggestions on how to improve their ability to reproduce the measured radical and oxygenated volatile organic compound concentrations are provided.
Experimental evidence from a simulation chamber study shows that the regeneration efficiency of...
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