Articles | Volume 22, issue 4
https://doi.org/10.5194/acp-22-2203-2022
© Author(s) 2022. 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-22-2203-2022
© Author(s) 2022. This work is distributed under
the Creative Commons Attribution 4.0 License.
the Creative Commons Attribution 4.0 License.
Research article
| 
17 Feb 2022
Research article |
| 17 Feb 2022
Investigations into the gas-phase photolysis and OH radical kinetics of nitrocatechols: implications of intramolecular interactions on their atmospheric behaviour
Claudiu Roman
Faculty of Chemistry, “Alexandru Ioan Cuza” University of Iasi,
Iasi, 11th Carol I, 700506, Romania
Integrated Center of Environmental Science Studies in the North Eastern Region – CERNESIM, “Alexandru Ioan Cuza” University of Iasi, Iasi, 11th Carol I, 700506, Romania
Cecilia Arsene
Faculty of Chemistry, “Alexandru Ioan Cuza” University of Iasi,
Iasi, 11th Carol I, 700506, Romania
Integrated Center of Environmental Science Studies in the North Eastern Region – CERNESIM, “Alexandru Ioan Cuza” University of Iasi, Iasi, 11th Carol I, 700506, Romania
Iustinian Gabriel Bejan
Faculty of Chemistry, “Alexandru Ioan Cuza” University of Iasi,
Iasi, 11th Carol I, 700506, Romania
Integrated Center of Environmental Science Studies in the North Eastern Region – CERNESIM, “Alexandru Ioan Cuza” University of Iasi, Iasi, 11th Carol I, 700506, Romania
Romeo Iulian Olariu
CORRESPONDING AUTHOR
Faculty of Chemistry, “Alexandru Ioan Cuza” University of Iasi,
Iasi, 11th Carol I, 700506, Romania
Integrated Center of Environmental Science Studies in the North Eastern Region – CERNESIM, “Alexandru Ioan Cuza” University of Iasi, Iasi, 11th Carol I, 700506, Romania
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Caterina Mapelli, Juliette V. Schleicher, Alex Hawtin, Conor D. Rankine, Fiona C. Whiting, Fergal Byrne, C. Rob McElroy, Claudiu Roman, Cecilia Arsene, Romeo I. Olariu, Iustinian G. Bejan, and Terry J. Dillon
Atmos. Chem. Phys., 22, 14589–14602, https://doi.org/10.5194/acp-22-14589-2022, https://doi.org/10.5194/acp-22-14589-2022, 2022
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Solvents represent an important source of pollution from the chemical industry. New "green" solvents aim to replace toxic solvents with new molecules made from renewable sources and designed to be less harmful. Whilst these new molecules are selected according to toxicity and other characteristics, no consideration has yet been included on air quality. Studying the solvent breakdown in air, we found that TMO has a lower impact on air quality than traditional solvents with similar properties.
Caterina Mapelli, Juliette V. Schleicher, Alex Hawtin, Conor D. Rankine, Fiona C. Whiting, Fergal Byrne, C. Rob McElroy, Claudiu Roman, Cecilia Arsene, Romeo I. Olariu, Iustinian G. Bejan, and Terry J. Dillon
Atmos. Chem. Phys., 22, 14589–14602, https://doi.org/10.5194/acp-22-14589-2022, https://doi.org/10.5194/acp-22-14589-2022, 2022
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Solvents represent an important source of pollution from the chemical industry. New "green" solvents aim to replace toxic solvents with new molecules made from renewable sources and designed to be less harmful. Whilst these new molecules are selected according to toxicity and other characteristics, no consideration has yet been included on air quality. Studying the solvent breakdown in air, we found that TMO has a lower impact on air quality than traditional solvents with similar properties.
Carmen Maria Tovar, Ian Barnes, Iustinian Gabriel Bejan, and Peter Wiesen
Atmos. Chem. Phys., 22, 6989–7004, https://doi.org/10.5194/acp-22-6989-2022, https://doi.org/10.5194/acp-22-6989-2022, 2022
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This work explores the kinetics and reactivity of epoxides towards the OH radical using two different simulation chambers. Estimation of the rate coefficients has also been made using different structure–activity relationship (SAR) approaches. The results indicate a direct influence of the structural and geometric properties of the epoxides not considered in SAR estimations, influencing the reactivity of these compounds. The outcomes of this work are in very good agreement with previous studies.
Niklas Illmann, Rodrigo Gastón Gibilisco, Iustinian Gabriel Bejan, Iulia Patroescu-Klotz, and Peter Wiesen
Atmos. Chem. Phys., 21, 13667–13686, https://doi.org/10.5194/acp-21-13667-2021, https://doi.org/10.5194/acp-21-13667-2021, 2021
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Within this work we determined the rate coefficients and products of the reaction of unsaturated ketones with OH radicals in an effort to complete the gaps in the knowledge needed for modelling chemistry in the atmosphere. Both substances are potentially emitted by biomass burning, industrial activities or formed in the troposphere by oxidation of terpenes. As products we identified aldehydes and ketones which in turn are known to be responsible for the transportation of NOx species.
Rodrigo Gastón Gibilisco, Ian Barnes, Iustinian Gabriel Bejan, and Peter Wiesen
Atmos. Chem. Phys., 20, 8939–8951, https://doi.org/10.5194/acp-20-8939-2020, https://doi.org/10.5194/acp-20-8939-2020, 2020
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Environmental chamber studies were performed to evaluate atmospheric degradation initiated by OH radicals for two unsaturated methoxy ketones. The main gas-phase oxidation products identified and quantified from these reactions are carbonyls and long-lived nitrogen-containing compounds such as peroxyacetyl nitrate and peroxypropionyl nitrate. The kinetic rate constants and atmospheric lifetimes were estimated, degradation mechanisms were developed, and atmospheric implications were assessed.
Alina Giorgiana Galon-Negru, Romeo Iulian Olariu, and Cecilia Arsene
Atmos. Chem. Phys., 18, 5879–5904, https://doi.org/10.5194/acp-18-5879-2018, https://doi.org/10.5194/acp-18-5879-2018, 2018
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In north-eastern Romania, enhancement in emission sources, changes in the mixed layer depth, and specific meteorological conditions were identified as critical factors controlling the seasonal variation in particulate ionic species. Particulate NH4+ and NO3− ions were assigned as critical parameters controlling aerosol chemistry. Long-range transport phenomena play an important role. Exploring aerosols' chemical composition and chemical processes still involves many challenges.
Related subject area
Subject: Gases | Research Activity: Laboratory Studies | Altitude Range: Troposphere | Science Focus: Chemistry (chemical composition and reactions)
Measurement of Henry's law and liquid-phase loss rate constants of peroxypropionic nitric anhydride (PPN) in deionized water and in n-octanol
Product distribution, kinetics, and aerosol formation from the OH oxidation of dimethyl sulfide under different RO2 regimes
Atmospheric breakdown chemistry of the new “green” solvent 2,2,5,5-tetramethyloxolane via gas-phase reactions with OH and Cl radicals
Impact of cooking style and oil on semi-volatile and intermediate volatility organic compound emissions from Chinese domestic cooking
Observations of gas-phase products from the nitrate-radical-initiated oxidation of four monoterpenes
Comparison of isoprene chemical mechanisms at atmospheric night-time conditions in chamber experiments: Evidence of hydroperoxy aldehydes and epoxy products from NO3 oxidation
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)
Kinetic study of the atmospheric oxidation of a series of epoxy compounds by OH radicals
An experimental study of the reactivity of terpinolene and β-caryophyllene with the nitrate radical
Oxidation product characterization from ozonolysis of the diterpene ent-kaurene
Kinetics of OH + SO2 + M: temperature-dependent rate coefficients in the fall-off regime and the influence of water vapour
Formation of organic sulfur compounds through SO2-initiated photochemistry of PAHs and dimethylsulfoxide at the air-water interface
Stable carbon isotopic composition of biomass burning emissions – implications for estimating the contribution of C3 and C4 plants
Evaluation of the daytime tropospheric loss of 2-methylbutanal
Reproducing Arctic springtime tropospheric ozone and mercury depletion events in an outdoor mesocosm sea ice facility
N2O5 uptake onto saline mineral dust: a potential missing source of tropospheric ClNO2 in inland China
NO3 chemistry of wildfire emissions: a kinetic study of the gas-phase reactions of furans with the NO3 radical
Marine gas-phase sulfur emissions during an induced phytoplankton bloom
Biomass burning plume chemistry: OH-radical-initiated oxidation of 3-penten-2-one and its main oxidation product 2-hydroxypropanal
Atmospheric photo-oxidation of myrcene: OH reaction rate constant, gas-phase oxidation products and radical budgets
Characterization of ambient volatile organic compounds, source apportionment, and the ozone–NOx–VOC sensitivities in a heavily polluted megacity of central China: effect of sporting events and emission reductions
Atmospheric oxidation of α,β-unsaturated ketones: kinetics and mechanism of the OH radical reaction
Reactions of NO3 with aromatic aldehydes: gas-phase kinetics and insights into the mechanism of the reaction
Atmospheric photooxidation and ozonolysis of Δ3-carene and 3-caronaldehyde: rate constants and product yields
Measurement report: Biogenic volatile organic compound emission profiles of rapeseed leaf litter and its secondary organic aerosol formation potential
Highly oxygenated organic molecules produced by the oxidation of benzene and toluene in a wide range of OH exposure and NOx conditions
Molecular composition and volatility of multi-generation products formed from isoprene oxidation by nitrate radical
Highly oxygenated organic molecule (HOM) formation in the isoprene oxidation by NO3 radical
Volatile organic compound emissions from solvent- and water-borne coatings – compositional differences and tracer compound identifications
Evaluated kinetic and photochemical data for atmospheric chemistry: volume VIII – gas-phase reactions of organic species with four, or more, carbon atoms ( ≥ C4)
Chemical characterisation of benzene oxidation products under high- and low-NOx conditions using chemical ionisation mass spectrometry
Emissions of non-methane volatile organic compounds from combustion of domestic fuels in Delhi, India
A comparative and experimental study of the reactivity with nitrate radical of two terpenes: α-terpinene and γ-terpinene
Photooxidation of pinonaldehyde at ambient conditions investigated in the atmospheric simulation chamber SAPHIR
Reaction between CH3C(O)OOH (peracetic acid) and OH in the gas phase: a combined experimental and theoretical study of the kinetics and mechanism
Snow heterogeneous reactivity of bromide with ozone lost during snow metamorphism
Evaluated kinetic and photochemical data for atmospheric chemistry: Volume VII – Criegee intermediates
Technical Note: Effect of varying the λ = 185 and 254 nm photon flux ratio on radical generation in oxidation flow reactors
Kinetics of dimethyl sulfide (DMS) reactions with isoprene-derived Criegee intermediates studied with direct UV absorption
Determination of the absorption cross sections of higher-order iodine oxides at 355 and 532 nm
Evolution of NO3 reactivity during the oxidation of isoprene
Rate coefficients for reactions of OH with aromatic and aliphatic volatile organic compounds determined by the multivariate relative rate technique
Atmospheric fate of two relevant unsaturated ketoethers: kinetics, products and mechanisms for the reaction of hydroxyl radicals with (E)-4-methoxy-3-buten-2-one and (1E)-1-methoxy-2-methyl-1-penten-3-one
The nitrogen budget of laboratory-simulated western US wildfires during the FIREX 2016 Fire Lab study
Importance of isomerization reactions for OH radical regeneration from the photo-oxidation of isoprene investigated in the atmospheric simulation chamber SAPHIR
Kinetics of the OH + NO2 reaction: effect of water vapour and new parameterization for global modelling
Kinetic and mechanistic study of the reaction between methane sulfonamide (CH3S(O)2NH2) and OH
Dimensionality-reduction techniques for complex mass spectrometric datasets: application to laboratory atmospheric organic oxidation experiments
Atmospheric fate of a series of saturated alcohols: kinetic and mechanistic study
Multi-generation OH oxidation as a source for highly oxygenated organic molecules from aromatics
Kevin D. Easterbrook, Mitchell A. Vona, Kiana Nayebi-Astaneh, Amanda M. Miller, and Hans D. Osthoff
Atmos. Chem. Phys., 23, 311–322, https://doi.org/10.5194/acp-23-311-2023, https://doi.org/10.5194/acp-23-311-2023, 2023
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The trace gas peroxypropionyl nitrate (PPN) is generated in photochemical smog, phytotoxic, a strong eye irritant, and possibly mutagenic. Here, its solubility and reactivity in water and in octanol were investigated using a bubble flow apparatus, yielding its Henry's law constant and octanol–water partition coefficient (Kow). The results allow the fate of PPN to be more accurately constrained in atmospheric chemical transport models, including its uptake on clouds, organic aerosol, and leaves.
Qing Ye, Matthew B. Goss, Jordan E. Krechmer, Francesca Majluf, Alexander Zaytsev, Yaowei Li, Joseph R. Roscioli, Manjula Canagaratna, Frank N. Keutsch, Colette L. Heald, and Jesse H. Kroll
Atmos. Chem. Phys., 22, 16003–16015, https://doi.org/10.5194/acp-22-16003-2022, https://doi.org/10.5194/acp-22-16003-2022, 2022
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The atmospheric oxidation of dimethyl sulfide (DMS) is a major natural source of sulfate particles in the atmosphere. However, its mechanism is poorly constrained. In our work, laboratory measurements and mechanistic modeling were conducted to comprehensively investigate DMS oxidation products and key reaction rates. We find that the peroxy radical (RO2) has a controlling effect on product distribution and aerosol yield, with the isomerization of RO2 leading to the suppression of aerosol yield.
Caterina Mapelli, Juliette V. Schleicher, Alex Hawtin, Conor D. Rankine, Fiona C. Whiting, Fergal Byrne, C. Rob McElroy, Claudiu Roman, Cecilia Arsene, Romeo I. Olariu, Iustinian G. Bejan, and Terry J. Dillon
Atmos. Chem. Phys., 22, 14589–14602, https://doi.org/10.5194/acp-22-14589-2022, https://doi.org/10.5194/acp-22-14589-2022, 2022
Short summary
Short summary
Solvents represent an important source of pollution from the chemical industry. New "green" solvents aim to replace toxic solvents with new molecules made from renewable sources and designed to be less harmful. Whilst these new molecules are selected according to toxicity and other characteristics, no consideration has yet been included on air quality. Studying the solvent breakdown in air, we found that TMO has a lower impact on air quality than traditional solvents with similar properties.
Kai Song, Song Guo, Yuanzheng Gong, Daqi Lv, Yuan Zhang, Zichao Wan, Tianyu Li, Wenfei Zhu, Hui Wang, Ying Yu, Rui Tan, Ruizhe Shen, Sihua Lu, Shuangde Li, Yunfa Chen, and Min Hu
Atmos. Chem. Phys., 22, 9827–9841, https://doi.org/10.5194/acp-22-9827-2022, https://doi.org/10.5194/acp-22-9827-2022, 2022
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Emissions from four typical Chinese domestic cooking and fried chicken using four kinds of oils were investigated to illustrate the impact of cooking style and oil. Of the estimated SOA, 10.2 %–32.0 % could be explained by S/IVOC oxidation. Multiway principal component analysis (MPCA) emphasizes the importance of the unsaturated fatty acid-alkadienal volatile product mechanism (oil autoxidation) accelerated by the cooking and heating procedure.
Michelia Dam, Danielle C. Draper, Andrey Marsavin, Juliane L. Fry, and James N. Smith
Atmos. Chem. Phys., 22, 9017–9031, https://doi.org/10.5194/acp-22-9017-2022, https://doi.org/10.5194/acp-22-9017-2022, 2022
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We performed chamber experiments to measure the composition of the gas-phase reaction products of nitrate-radical-initiated oxidation of four monoterpenes. The total organic yield, effective oxygen-to-carbon ratio, and dimer-to-monomer ratio were correlated with the observed particle formation for the monoterpene systems with some exceptions. The Δ-carene system produced the most particles, followed by β-pinene, with the α-pinene and α-thujene systems producing no particles.
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
EGUsphere, https://doi.org/10.5194/egusphere-2022-587, https://doi.org/10.5194/egusphere-2022-587, 2022
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The investigation of the bight-time oxidation of the most abundant hydrocarbon, isoprene in chamber experiments shows the importance of so far unaccounted reaction pathways leading to epoxy products, which could enhance particle formation. The chemical lifetime of organic nitrates from isoprene is long enough that the majority will be further oxidized on the next by daytime oxidants.
Jacky Yat Sing Pang, Anna Novelli, Martin Kaminski, Ismail-Hakki Acir, Birger Bohn, Philip T. M. Carlsson, Changmin Cho, Hans-Peter Dorn, Andreas Hofzumahaus, Xin Li, Anna Lutz, Sascha Nehr, David Reimer, Franz Rohrer, Ralf Tillmann, Robert Wegener, Astrid Kiendler-Scharr, Andreas Wahner, and Hendrik Fuchs
Atmos. Chem. Phys., 22, 8497–8527, https://doi.org/10.5194/acp-22-8497-2022, https://doi.org/10.5194/acp-22-8497-2022, 2022
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This study investigates the radical chemical budget during the limonene oxidation at different atmospheric-relevant NO concentrations in chamber experiments under atmospheric conditions. It is found that the model–measurement discrepancies of HO2 and RO2 are very large at low NO concentrations that are typical for forested environments. Possible additional processes impacting HO2 and RO2 concentrations are discussed.
Carmen Maria Tovar, Ian Barnes, Iustinian Gabriel Bejan, and Peter Wiesen
Atmos. Chem. Phys., 22, 6989–7004, https://doi.org/10.5194/acp-22-6989-2022, https://doi.org/10.5194/acp-22-6989-2022, 2022
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This work explores the kinetics and reactivity of epoxides towards the OH radical using two different simulation chambers. Estimation of the rate coefficients has also been made using different structure–activity relationship (SAR) approaches. The results indicate a direct influence of the structural and geometric properties of the epoxides not considered in SAR estimations, influencing the reactivity of these compounds. The outcomes of this work are in very good agreement with previous studies.
Axel Fouqueau, Manuela Cirtog, Mathieu Cazaunau, Edouard Pangui, Jean-François Doussin, and Bénédicte Picquet-Varrault
Atmos. Chem. Phys., 22, 6411–6434, https://doi.org/10.5194/acp-22-6411-2022, https://doi.org/10.5194/acp-22-6411-2022, 2022
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Biogenic volatile organic compounds are intensely emitted by forests and crops and react with the nitrate radical during the nighttime to form functionalized products. The purpose of this study is to furnish kinetic and mechanistic data for terpinolene and β-caryophyllene, using simulation chamber experiments. Rate constants have been measured using both relative and absolute methods, and mechanistic studies have been conducted in order to identify and quantify the main reaction products.
Yuanyuan Luo, Olga Garmash, Haiyan Li, Frans Graeffe, Arnaud P. Praplan, Anssi Liikanen, Yanjun Zhang, Melissa Meder, Otso Peräkylä, Josep Peñuelas, Ana María Yáñez-Serrano, and Mikael Ehn
Atmos. Chem. Phys., 22, 5619–5637, https://doi.org/10.5194/acp-22-5619-2022, https://doi.org/10.5194/acp-22-5619-2022, 2022
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Diterpenes were only recently observed in the atmosphere, and little is known of their atmospheric fates. We explored the ozonolysis of the diterpene kaurene in a chamber, and we characterized the oxidation products for the first time using chemical ionization mass spectrometry. Our findings highlight similarities and differences between diterpenes and smaller terpenes during their atmospheric oxidation.
Wenyu Sun, Matias Berasategui, Andrea Pozzer, Jos Lelieveld, and John N. Crowley
Atmos. Chem. Phys., 22, 4969–4984, https://doi.org/10.5194/acp-22-4969-2022, https://doi.org/10.5194/acp-22-4969-2022, 2022
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The reaction between OH and SO2 is a termolecular process that in the atmosphere results in the formation of H2SO4 and thus aerosols. We present the first temperature- and pressure-dependent measurements of the rate coefficients in N2. This is also the first study to examine the effects of water vapour on the kinetics of this reaction. Our results indicate the rate coefficient is larger than that recommended by evaluation panels, with deviations of up to 30 % in some parts of the atmosphere.
Haoyu Jiang, Yingyao He, Yiqun Wang, Sheng Li, Bin Jiang, Luca Carena, Xue Li, Lihua Yang, Tiangang Luan, Davide Vione, and Sasho Gligorovski
Atmos. Chem. Phys., 22, 4237–4252, https://doi.org/10.5194/acp-22-4237-2022, https://doi.org/10.5194/acp-22-4237-2022, 2022
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Heterogeneous oxidation of SO2 is suggested to be one of the most important pathways for sulfate formation during extreme haze events in China, yet the exact mechanism remains highly uncertain. Our study reveals that ubiquitous compounds at the sea surface PAHS and DMSO, when exposed to SO2 under simulated sunlight irradiation, generate abundant organic sulfur compounds, providing implications for air-sea interaction and secondary organic aerosols formation processes.
Roland Vernooij, Ulrike Dusek, Maria Elena Popa, Peng Yao, Anupam Shaikat, Chenxi Qiu, Patrik Winiger, Carina van der Veen, Thomas Callum Eames, Natasha Ribeiro, and Guido R. van der Werf
Atmos. Chem. Phys., 22, 2871–2890, https://doi.org/10.5194/acp-22-2871-2022, https://doi.org/10.5194/acp-22-2871-2022, 2022
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Landscape fires are a major source of greenhouse gases and aerosols, particularly in sub-tropical savannas. Stable carbon isotopes in emissions can be used to trace the contribution of C3 plants (e.g. trees or shrubs) and C4 plants (e.g. savanna grasses) to greenhouse gases and aerosols if the process is well understood. This helps us to link individual vegetation types to emissions, identify biomass burning emissions in the atmosphere, and improve the reconstruction of historic fire regimes.
María Asensio, María Antiñolo, Sergio Blázquez, José Albaladejo, and Elena Jiménez
Atmos. Chem. Phys., 22, 2689–2701, https://doi.org/10.5194/acp-22-2689-2022, https://doi.org/10.5194/acp-22-2689-2022, 2022
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The diurnal atmospheric degradation of 2-methylbutanal, 2 MB, emitted by sources like vegetation or the poultry industry is evaluated in this work. Sunlight and oxidants like hydroxyl (OH) radicals and chlorine (Cl) atoms initiate this degradation. Measurements of how fast 2 MB is degraded and what products are generated are presented. The lifetime of 2 MB is around 1 h at noon, when the OH reaction dominates. Thus, 2 MB will not be transported far, affecting only local air quality.
Zhiyuan Gao, Nicolas-Xavier Geilfus, Alfonso Saiz-Lopez, and Feiyue Wang
Atmos. Chem. Phys., 22, 1811–1824, https://doi.org/10.5194/acp-22-1811-2022, https://doi.org/10.5194/acp-22-1811-2022, 2022
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Every spring in the Arctic, a series of photochemical events occur over the ice-covered ocean, known as bromine explosion events, ozone depletion events, and mercury depletion events. Here we report the re-creation of these events at an outdoor sea ice facility in Winnipeg, Canada, far away from the Arctic. The success provides a new platform with new opportunities to uncover fundamental mechanisms of these Arctic springtime phenomena and how they may change in a changing climate.
Haichao Wang, Chao Peng, Xuan Wang, Shengrong Lou, Keding Lu, Guicheng Gan, Xiaohong Jia, Xiaorui Chen, Jun Chen, Hongli Wang, Shaojia Fan, Xinming Wang, and Mingjin Tang
Atmos. Chem. Phys., 22, 1845–1859, https://doi.org/10.5194/acp-22-1845-2022, https://doi.org/10.5194/acp-22-1845-2022, 2022
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Via combining laboratory and modeling work, we found that heterogeneous reaction of N2O5 with saline mineral dust aerosol could be an important source of tropospheric ClNO2 in inland regions.
Mike J. Newland, Yangang Ren, Max R. McGillen, Lisa Michelat, Véronique Daële, and Abdelwahid Mellouki
Atmos. Chem. Phys., 22, 1761–1772, https://doi.org/10.5194/acp-22-1761-2022, https://doi.org/10.5194/acp-22-1761-2022, 2022
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Wildfires are increasing in extent and severity, driven by climate change. Such fires emit large amounts of volatile organic compounds (VOCs) to the atmosphere. Many of these, such as the furans studied here, are very reactive and are rapidly converted to other VOCs, which are expected to have negative health effects and to further impact the climate. Here, we establish the importance of the nitrate radical for removing these compounds both during the night and during the day.
Delaney B. Kilgour, Gordon A. Novak, Jon S. Sauer, Alexia N. Moore, Julie Dinasquet, Sarah Amiri, Emily B. Franklin, Kathryn Mayer, Margaux Winter, Clare K. Morris, Tyler Price, Francesca Malfatti, Daniel R. Crocker, Christopher Lee, Christopher D. Cappa, Allen H. Goldstein, Kimberly A. Prather, and Timothy H. Bertram
Atmos. Chem. Phys., 22, 1601–1613, https://doi.org/10.5194/acp-22-1601-2022, https://doi.org/10.5194/acp-22-1601-2022, 2022
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We report measurements of gas-phase volatile organosulfur molecules made during a mesocosm phytoplankton bloom experiment. Dimethyl sulfide (DMS), methanethiol (MeSH), and benzothiazole accounted for on average over 90 % of total gas-phase sulfur emissions. This work focuses on factors controlling the production and emission of DMS and MeSH and the role of non-DMS molecules (such as MeSH and benzothiazole) in secondary sulfate formation in coastal marine environments.
Niklas Illmann, Iulia Patroescu-Klotz, and Peter Wiesen
Atmos. Chem. Phys., 21, 18557–18572, https://doi.org/10.5194/acp-21-18557-2021, https://doi.org/10.5194/acp-21-18557-2021, 2021
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Understanding the chemistry of biomass burning plumes is of global interest. Within this work we investigated the OH radical reaction of 3-penten-2-one, which has been identified in biomass burning emissions. We observed the primary formation of peroxyacetyl nitrate (PAN), a key NOx reservoir species. Besides, PAN precursors were also identified as main oxidation products. 3-Penten-2-one is shown to be an example explaining rapid PAN formation within young biomass burning plumes.
Zhaofeng Tan, Luisa Hantschke, Martin Kaminski, Ismail-Hakki Acir, Birger Bohn, Changmin Cho, Hans-Peter Dorn, Xin Li, Anna Novelli, Sascha Nehr, Franz Rohrer, Ralf Tillmann, Robert Wegener, Andreas Hofzumahaus, Astrid Kiendler-Scharr, Andreas Wahner, and Hendrik Fuchs
Atmos. Chem. Phys., 21, 16067–16091, https://doi.org/10.5194/acp-21-16067-2021, https://doi.org/10.5194/acp-21-16067-2021, 2021
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The photo-oxidation of myrcene, a monoterpene species emitted by plants, was investigated at atmospheric conditions in the outdoor simulation chamber SAPHIR. The chemical structure of myrcene is partly similar to isoprene. Therefore, it can be expected that hydrogen shift reactions could play a role as observed for isoprene. In this work, their potential impact on the regeneration efficiency of hydroxyl radicals is investigated.
Shijie Yu, Fangcheng Su, Shasha Yin, Shenbo Wang, Ruixin Xu, Bing He, Xiangge Fan, Minghao Yuan, and Ruiqin Zhang
Atmos. Chem. Phys., 21, 15239–15257, https://doi.org/10.5194/acp-21-15239-2021, https://doi.org/10.5194/acp-21-15239-2021, 2021
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This study measured 106 VOC species using a GC-MS/FID. Meanwhile, the WRF-CMAQ model was used to investigate the nonlinearity of the O3 response to precursor reductions. This study highlights the effectiveness of stringent emission controls in relation to solvent utilization and coal combustion. However, unreasonable emission reduction may aggravate ozone pollution during control periods. It is suggested that emission-reduction ratios of the precursors (VOC : NOx) should be more than 2.
Niklas Illmann, Rodrigo Gastón Gibilisco, Iustinian Gabriel Bejan, Iulia Patroescu-Klotz, and Peter Wiesen
Atmos. Chem. Phys., 21, 13667–13686, https://doi.org/10.5194/acp-21-13667-2021, https://doi.org/10.5194/acp-21-13667-2021, 2021
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Within this work we determined the rate coefficients and products of the reaction of unsaturated ketones with OH radicals in an effort to complete the gaps in the knowledge needed for modelling chemistry in the atmosphere. Both substances are potentially emitted by biomass burning, industrial activities or formed in the troposphere by oxidation of terpenes. As products we identified aldehydes and ketones which in turn are known to be responsible for the transportation of NOx species.
Yangang Ren, Li Zhou, Abdelwahid Mellouki, Véronique Daële, Mahmoud Idir, Steven S. Brown, Branko Ruscic, Robert S. Paton, Max R. McGillen, and A. R. Ravishankara
Atmos. Chem. Phys., 21, 13537–13551, https://doi.org/10.5194/acp-21-13537-2021, https://doi.org/10.5194/acp-21-13537-2021, 2021
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Aromatic aldehydes are a family of compounds emitted into the atmosphere from both anthropogenic and biogenic sources that are formed from the degradation of aromatic hydrocarbons. Their atmospheric degradation may impact air quality. We report on their atmospheric degradation through reaction with NO3, which is useful to estimate their atmospheric lifetimes. We have also attempted to elucidate the mechanism of these reactions via studies of isotopic substitution and quantum chemistry.
Luisa Hantschke, Anna Novelli, Birger Bohn, Changmin Cho, David Reimer, Franz Rohrer, Ralf Tillmann, Marvin Glowania, Andreas Hofzumahaus, Astrid Kiendler-Scharr, Andreas Wahner, and Hendrik Fuchs
Atmos. Chem. Phys., 21, 12665–12685, https://doi.org/10.5194/acp-21-12665-2021, https://doi.org/10.5194/acp-21-12665-2021, 2021
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The reactions of Δ3-carene with ozone and the hydroxyl radical (OH) and the photolysis and OH reaction of caronaldehyde were investigated in the simulation chamber SAPHIR. Reaction rate constants of these reactions were determined. Caronaldehyde yields of the ozonolysis and OH reaction were determined. The organic nitrate yield of the reaction of Δ3-carene and caronaldehyde-derived peroxy radicals with NO was determined. The ROx budget (ROx = OH+HO2+RO2) was also investigated.
Letizia Abis, Carmen Kalalian, Bastien Lunardelli, Tao Wang, Liwu Zhang, Jianmin Chen, Sébastien Perrier, Benjamin Loubet, Raluca Ciuraru, and Christian George
Atmos. Chem. Phys., 21, 12613–12629, https://doi.org/10.5194/acp-21-12613-2021, https://doi.org/10.5194/acp-21-12613-2021, 2021
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Biogenic volatile organic compound (BVOC) emissions from rapeseed leaf litter have been investigated by means of a controlled atmospheric simulation chamber. The diversity of emitted VOCs increased also in the presence of UV light irradiation. SOA formation was observed when leaf litter was exposed to both UV light and ozone, indicating a potential contribution to particle formation or growth at local scales.
Xi Cheng, Qi Chen, Yong Jie Li, Yan Zheng, Keren Liao, and Guancong Huang
Atmos. Chem. Phys., 21, 12005–12019, https://doi.org/10.5194/acp-21-12005-2021, https://doi.org/10.5194/acp-21-12005-2021, 2021
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In this study, we conducted laboratory studies to investigate the formation of gas-phase highly oxygenated organic molecules (HOMs). We provide a thorough analysis on the importance of multistep auto-oxidation and multigeneration OH reactions. We also give an intensive investigation on the roles of high-NO2 conditions that represent a wide range of anthropogenically influenced environments.
Rongrong Wu, Luc Vereecken, Epameinondas Tsiligiannis, Sungah Kang, Sascha R. Albrecht, Luisa Hantschke, Defeng Zhao, Anna Novelli, Hendrik Fuchs, Ralf Tillmann, Thorsten Hohaus, Philip T. M. Carlsson, Justin Shenolikar, François Bernard, John N. Crowley, Juliane L. Fry, Bellamy Brownwood, Joel A. Thornton, Steven S. Brown, Astrid Kiendler-Scharr, Andreas Wahner, Mattias Hallquist, and Thomas F. Mentel
Atmos. Chem. Phys., 21, 10799–10824, https://doi.org/10.5194/acp-21-10799-2021, https://doi.org/10.5194/acp-21-10799-2021, 2021
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Isoprene is the biogenic volatile organic compound with the largest emissions rates. The nighttime reaction of isoprene with the NO3 radical has a large potential to contribute to SOA. We classified isoprene nitrates into generations and proposed formation pathways. Considering the potential functionalization of the isoprene nitrates we propose that mainly isoprene dimers contribute to SOA formation from the isoprene NO3 reactions with at least a 5 % mass yield.
Defeng Zhao, Iida Pullinen, Hendrik Fuchs, Stephanie Schrade, Rongrong Wu, Ismail-Hakki Acir, Ralf Tillmann, Franz Rohrer, Jürgen Wildt, Yindong Guo, Astrid Kiendler-Scharr, Andreas Wahner, Sungah Kang, Luc Vereecken, and Thomas F. Mentel
Atmos. Chem. Phys., 21, 9681–9704, https://doi.org/10.5194/acp-21-9681-2021, https://doi.org/10.5194/acp-21-9681-2021, 2021
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The reaction of isoprene, a biogenic volatile organic compound with the globally largest emission rates, with NO3, an nighttime oxidant influenced heavily by anthropogenic emissions, forms a large number of highly oxygenated organic molecules (HOM). These HOM are formed via one or multiple oxidation steps, followed by autoxidation. Their total yield is much higher than that in the daytime oxidation of isoprene. They may play an important role in nighttime organic aerosol formation and growth.
Chelsea E. Stockwell, Matthew M. Coggon, Georgios I. Gkatzelis, John Ortega, Brian C. McDonald, Jeff Peischl, Kenneth Aikin, Jessica B. Gilman, Michael Trainer, and Carsten Warneke
Atmos. Chem. Phys., 21, 6005–6022, https://doi.org/10.5194/acp-21-6005-2021, https://doi.org/10.5194/acp-21-6005-2021, 2021
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Volatile chemical products are emerging as a large source of petrochemical organics in urban environments. We identify markers for the coatings category by linking ambient observations to laboratory measurements, investigating volatile organic compound (VOC) composition, and quantifying key VOC emissions via controlled evaporation experiments. Ingredients and sales surveys are used to confirm the prevalence and usage trends to support the assignment of water and solvent-borne coating tracers.
Abdelwahid Mellouki, Markus Ammann, R. Anthony Cox, John N. Crowley, Hartmut Herrmann, Michael E. Jenkin, V. Faye McNeill, Jürgen Troe, and Timothy J. Wallington
Atmos. Chem. Phys., 21, 4797–4808, https://doi.org/10.5194/acp-21-4797-2021, https://doi.org/10.5194/acp-21-4797-2021, 2021
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Volatile organic compounds play an important role in atmospheric chemistry. This article, the eighth in the series, presents kinetic and photochemical data sheets evaluated by the IUPAC Task Group on Atmospheric Chemical Kinetic Data Evaluation. It covers the gas-phase reactions of organic species with four, or more, carbon atoms (≥ C4) including thermal reactions of closed-shell organic species with HO and NO3 radicals and their photolysis. These data are important for atmospheric models.
Michael Priestley, Thomas J. Bannan, Michael Le Breton, Stephen D. Worrall, Sungah Kang, Iida Pullinen, Sebastian Schmitt, Ralf Tillmann, Einhard Kleist, Defeng Zhao, Jürgen Wildt, Olga Garmash, Archit Mehra, Asan Bacak, Dudley E. Shallcross, Astrid Kiendler-Scharr, Åsa M. Hallquist, Mikael Ehn, Hugh Coe, Carl J. Percival, Mattias Hallquist, Thomas F. Mentel, and Gordon McFiggans
Atmos. Chem. Phys., 21, 3473–3490, https://doi.org/10.5194/acp-21-3473-2021, https://doi.org/10.5194/acp-21-3473-2021, 2021
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A significant fraction of emissions from human activity consists of aromatic hydrocarbons, e.g. benzene, which oxidise to form new compounds important for particle growth. Characterisation of benzene oxidation products highlights the range of species produced as well as their chemical properties and contextualises them within relevant frameworks, e.g. MCM. Cluster analysis of the oxidation product time series distinguishes behaviours of CHON compounds that could aid in identifying functionality.
Gareth J. Stewart, W. Joe F. Acton, Beth S. Nelson, Adam R. Vaughan, James R. Hopkins, Rahul Arya, Arnab Mondal, Ritu Jangirh, Sakshi Ahlawat, Lokesh Yadav, Sudhir K. Sharma, Rachel E. Dunmore, Siti S. M. Yunus, C. Nicholas Hewitt, Eiko Nemitz, Neil Mullinger, Ranu Gadi, Lokesh K. Sahu, Nidhi Tripathi, Andrew R. Rickard, James D. Lee, Tuhin K. Mandal, and Jacqueline F. Hamilton
Atmos. Chem. Phys., 21, 2383–2406, https://doi.org/10.5194/acp-21-2383-2021, https://doi.org/10.5194/acp-21-2383-2021, 2021
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Biomass burning is a major source of trace gases to the troposphere; however, the composition and quantity of emissions vary greatly between different fuel types. This work provided near-total quantitation of non-methane volatile organic compounds from combustion of biofuels from India. Emissions from cow dung cake combustion were significantly larger than conventional fuelwood combustion, potentially indicating that this source has a disproportionately large impact on regional air quality.
Axel Fouqueau, Manuela Cirtog, Mathieu Cazaunau, Edouard Pangui, Jean-François Doussin, and Bénédicte Picquet-Varrault
Atmos. Chem. Phys., 20, 15167–15189, https://doi.org/10.5194/acp-20-15167-2020, https://doi.org/10.5194/acp-20-15167-2020, 2020
Michael Rolletter, Marion Blocquet, Martin Kaminski, Birger Bohn, Hans-Peter Dorn, Andreas Hofzumahaus, Frank Holland, Xin Li, Franz Rohrer, Ralf Tillmann, Robert Wegener, Astrid Kiendler-Scharr, Andreas Wahner, and Hendrik Fuchs
Atmos. Chem. Phys., 20, 13701–13719, https://doi.org/10.5194/acp-20-13701-2020, https://doi.org/10.5194/acp-20-13701-2020, 2020
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The photooxidation of pinonaldehyde is investigated in a chamber study under natural sunlight and low NO conditions with and without an added hydroxyl radical (OH) scavenger. The experimentally determined pinonaldehyde photolysis frequency is faster by a factor of 3.5 than currently used parameterizations in atmospheric models. Yields of degradation products are measured in the presence and absence of OH. Measurements are compared to current atmospheric models and a theory-based mechanism.
Matias Berasategui, Damien Amedro, Luc Vereecken, Jos Lelieveld, and John N. Crowley
Atmos. Chem. Phys., 20, 13541–13555, https://doi.org/10.5194/acp-20-13541-2020, https://doi.org/10.5194/acp-20-13541-2020, 2020
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Peracetic acid is one of the most abundant organic peroxides in the atmosphere. We combine experiments and theory to show that peracetic acid reacts orders of magnitude more slowly with OH than presently accepted, which results in a significant extension of its atmospheric lifetime.
Jacinta Edebeli, Jürg C. Trachsel, Sven E. Avak, Markus Ammann, Martin Schneebeli, Anja Eichler, and Thorsten Bartels-Rausch
Atmos. Chem. Phys., 20, 13443–13454, https://doi.org/10.5194/acp-20-13443-2020, https://doi.org/10.5194/acp-20-13443-2020, 2020
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Earth’s snow cover is very dynamic and can change its physical properties within hours, as is well known by skiers. Snow is also a well-known host of chemical reactions – the products of which impact air composition and quality. Here, we present laboratory experiments that show how the dynamics of snow make snow essentially inert with respect to gas-phase ozone with time despite its content of reactive chemicals. Impacts on polar atmospheric chemistry are discussed.
R. Anthony Cox, Markus Ammann, John N. Crowley, Hartmut Herrmann, Michael E. Jenkin, V. Faye McNeill, Abdelwahid Mellouki, Jürgen Troe, and Timothy J. Wallington
Atmos. Chem. Phys., 20, 13497–13519, https://doi.org/10.5194/acp-20-13497-2020, https://doi.org/10.5194/acp-20-13497-2020, 2020
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Criegee intermediates, formed from alkene–ozone reactions, play a potentially important role as tropospheric oxidants. Evaluated kinetic data are provided for reactions governing their formation and removal for use in atmospheric models. These include their formation from reactions of simple and complex alkenes and removal by decomposition and reaction with a number of atmospheric species (e.g. H2O, SO2). An overview of the tropospheric chemistry of Criegee intermediates is also provided.
Jake P. Rowe, Andrew T. Lambe, and William H. Brune
Atmos. Chem. Phys., 20, 13417–13424, https://doi.org/10.5194/acp-20-13417-2020, https://doi.org/10.5194/acp-20-13417-2020, 2020
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We conducted a series of experiments in which the 185 to 254 nm photon flux ratio (I185 : I254) emitted by low-pressure mercury lamps installed in an oxidation flow reactor (OFR) was systematically varied using multiple novel lamp configurations. Integrated OH exposure values achieved for each lamp type were obtained as a function of OFR operating conditions. A photochemical box model was used to develop a generalized OH exposure estimation equation as a function of [H2O], [O3], and OH reactivity.
Mei-Tsan Kuo, Isabelle Weber, Christa Fittschen, Luc Vereecken, and Jim Jr-Min Lin
Atmos. Chem. Phys., 20, 12983–12993, https://doi.org/10.5194/acp-20-12983-2020, https://doi.org/10.5194/acp-20-12983-2020, 2020
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Dimethyl sulfide (DMS) is the major sulfur-containing species in the troposphere. Previous work by Newland et al. (2015) reported very high reactivity of isoprene-derived Criegee intermediates (CIs) towards DMS. By monitoring CIs with direct UV absorption, we found CI + DMS reactions are very slow, in contrast to the results of Newland et al. (2015), suggesting these CIs would not oxidize atmospheric DMS at any substantial level.
Thomas R. Lewis, Juan Carlos Gómez Martín, Mark A. Blitz, Carlos A. Cuevas, John M. C. Plane, and Alfonso Saiz-Lopez
Atmos. Chem. Phys., 20, 10865–10887, https://doi.org/10.5194/acp-20-10865-2020, https://doi.org/10.5194/acp-20-10865-2020, 2020
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Iodine-bearing gasses emitted from the sea surface are chemically processed in the atmosphere, leading to iodine accumulation in aerosol and transport to continental ecosystems. Such processing involves light-induced break-up of large, particle-forming iodine oxides into smaller, ozone-depleting molecules. We combine experiments and theory to report the photolysis efficiency of iodine oxides required to assess the impact of iodine on ozone depletion and particle formation.
Patrick Dewald, Jonathan M. Liebmann, Nils Friedrich, Justin Shenolikar, Jan Schuladen, Franz Rohrer, David Reimer, Ralf Tillmann, Anna Novelli, Changmin Cho, Kangming Xu, Rupert Holzinger, François Bernard, Li Zhou, Wahid Mellouki, Steven S. Brown, Hendrik Fuchs, Jos Lelieveld, and John N. Crowley
Atmos. Chem. Phys., 20, 10459–10475, https://doi.org/10.5194/acp-20-10459-2020, https://doi.org/10.5194/acp-20-10459-2020, 2020
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We present direct measurements of NO3 reactivity resulting from the oxidation of isoprene by NO3 during an intensive simulation chamber study. Measurements were in excellent agreement with values calculated from measured isoprene amounts and the rate coefficient for the reaction of NO3 with isoprene. Comparison of the measurement with NO3 reactivities from non-steady-state and model calculations suggests that isoprene-derived RO2 and HO2 radicals account to ~ 50 % of overall NO3 losses.
Jacob T. Shaw, Andrew R. Rickard, Mike J. Newland, and Terry J. Dillon
Atmos. Chem. Phys., 20, 9725–9736, https://doi.org/10.5194/acp-20-9725-2020, https://doi.org/10.5194/acp-20-9725-2020, 2020
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This work expands upon the recently developed multivariate relative rate technique, presented in Shaw et al. (2019), for the measurement of rates of reaction between aromatic and aliphatic volatile organic compounds (VOCs) and OH. Knowledge of the rates of such reactions are important for understanding air quality in urban environments. This work also provides a key validation of structure–activity relationship models, which provide a theoretical method for estimating OH + VOC kinetics.
Rodrigo Gastón Gibilisco, Ian Barnes, Iustinian Gabriel Bejan, and Peter Wiesen
Atmos. Chem. Phys., 20, 8939–8951, https://doi.org/10.5194/acp-20-8939-2020, https://doi.org/10.5194/acp-20-8939-2020, 2020
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Environmental chamber studies were performed to evaluate atmospheric degradation initiated by OH radicals for two unsaturated methoxy ketones. The main gas-phase oxidation products identified and quantified from these reactions are carbonyls and long-lived nitrogen-containing compounds such as peroxyacetyl nitrate and peroxypropionyl nitrate. The kinetic rate constants and atmospheric lifetimes were estimated, degradation mechanisms were developed, and atmospheric implications were assessed.
James M. Roberts, Chelsea E. Stockwell, Robert J. Yokelson, Joost de Gouw, Yong Liu, Vanessa Selimovic, Abigail R. Koss, Kanako Sekimoto, Matthew M. Coggon, Bin Yuan, Kyle J. Zarzana, Steven S. Brown, Cristina Santin, Stefan H. Doerr, and Carsten Warneke
Atmos. Chem. Phys., 20, 8807–8826, https://doi.org/10.5194/acp-20-8807-2020, https://doi.org/10.5194/acp-20-8807-2020, 2020
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We measured total reactive nitrogen, Nr, in lab fires from western North American fuels, along with measurements of individual nitrogen compounds. We measured the amount of N that gets converted to inactive compounds (avg. 70 %), and the amount that is accounted for by individual species (85 % of remaining N). We provide guidelines for how the reactive nitrogen is distributed among individual compounds such as NOx and ammonia. This will help estimates and predictions of wildfire emissions.
Anna Novelli, Luc Vereecken, Birger Bohn, Hans-Peter Dorn, Georgios I. Gkatzelis, Andreas Hofzumahaus, Frank Holland, David Reimer, Franz Rohrer, Simon Rosanka, Domenico Taraborrelli, Ralf Tillmann, Robert Wegener, Zhujun Yu, Astrid Kiendler-Scharr, Andreas Wahner, and Hendrik Fuchs
Atmos. Chem. Phys., 20, 3333–3355, https://doi.org/10.5194/acp-20-3333-2020, https://doi.org/10.5194/acp-20-3333-2020, 2020
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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.
Damien Amedro, Matias Berasategui, Arne J. C. Bunkan, Andrea Pozzer, Jos Lelieveld, and John N. Crowley
Atmos. Chem. Phys., 20, 3091–3105, https://doi.org/10.5194/acp-20-3091-2020, https://doi.org/10.5194/acp-20-3091-2020, 2020
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Our laboratory experiments show that the rate coefficient for the termolecular reaction between OH and NO2 is enhanced in the presence of water vapour. Using a chemistry transport model we show that our new parameterization of the temperature, pressure, and bath-gas dependence of this reaction has a significant impact on, for example, NOx and the HNO2 / NO2 ratio when compared to present recommendations.
Matias Berasategui, Damien Amedro, Achim Edtbauer, Jonathan Williams, Jos Lelieveld, and John N. Crowley
Atmos. Chem. Phys., 20, 2695–2707, https://doi.org/10.5194/acp-20-2695-2020, https://doi.org/10.5194/acp-20-2695-2020, 2020
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We have determined the rate coefficient and mechanism for the reaction of the OH radical with methane sulphonamide, a trace gas which has recently been found in the atmosphere. The rate coefficient is 1.4 × 10−13 cm3 molec.−1 s−1, which indicates a tropospheric lifetime of > 2 months. The observation of CO, CO2, SO2, HNO3, HCOOH, and N2O products enabled us to derive a detailed reaction mechanism for the reaction, which proceeds predominantly by H abstraction from the CH3 group.
Abigail R. Koss, Manjula R. Canagaratna, Alexander Zaytsev, Jordan E. Krechmer, Martin Breitenlechner, Kevin J. Nihill, Christopher Y. Lim, James C. Rowe, Joseph R. Roscioli, Frank N. Keutsch, and Jesse H. Kroll
Atmos. Chem. Phys., 20, 1021–1041, https://doi.org/10.5194/acp-20-1021-2020, https://doi.org/10.5194/acp-20-1021-2020, 2020
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Oxidation chemistry of organic compounds in the atmosphere produces a diverse spectrum of products. This diversity is difficult to represent in air quality and climate models, and in laboratory experiments it results in large and complex datasets. This work evaluates several methods to simplify the chemistry of oxidation systems in environmental chambers, including positive matrix factorization, hierarchical clustering analysis, and gamma kinetics parameterization.
Inmaculada Colmenar, Pilar Martin, Beatriz Cabañas, Sagrario Salgado, Araceli Tapia, and Inmaculada Aranda
Atmos. Chem. Phys., 20, 699–720, https://doi.org/10.5194/acp-20-699-2020, https://doi.org/10.5194/acp-20-699-2020, 2020
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Saturated alcohols (SAs), such as (E)-4-methylcyclohexanol, 3,3-dimethyl-1-butanol, and 3,3-dimethyl-2-butanol, could be used as biofuels. The atmospheric reactivity of these compounds must be established in order to understand the consequences of the presence of these compounds in the atmosphere. The experimental results obtained in this work reveal that uncontrolled emissions of these saturated alcohols could have important atmospheric implications.
Olga Garmash, Matti P. Rissanen, Iida Pullinen, Sebastian Schmitt, Oskari Kausiala, Ralf Tillmann, Defeng Zhao, Carl Percival, Thomas J. Bannan, Michael Priestley, Åsa M. Hallquist, Einhard Kleist, Astrid Kiendler-Scharr, Mattias Hallquist, Torsten Berndt, Gordon McFiggans, Jürgen Wildt, Thomas F. Mentel, and Mikael Ehn
Atmos. Chem. Phys., 20, 515–537, https://doi.org/10.5194/acp-20-515-2020, https://doi.org/10.5194/acp-20-515-2020, 2020
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Highly oxygenated organic molecules (HOMs) facilitate aerosol formation in the atmosphere. Using NO3− chemical ionization mass spectrometry we investigated HOM composition and yield in oxidation of aromatic compounds at different reactant concentrations, in the presence of NOx and seed aerosol. Higher OH concentrations increased HOM yield, suggesting multiple oxidation steps, and affected HOM composition, potentially explaining in part discrepancies in published secondary organic aerosol yields.
Cited articles
Alif, A., Pilichowski, J. F., and Boule, P.: Photochemistry and environment XIII: Phototransformation of 2-nitrophenol in aqueous solution, J. Photochem. Photobiol. A Chem., 59, 209–219,
https://doi.org/10.1016/1010-6030(91)87009-K, 1991.
Aschmann, S. M., Arey, J., and Atkinson, R.: Rate constants for the
reactions of OH radicals with 1,2,4,5-tetramethylbenzene,
pentamethylbenzene, 2,4,5-trimethylbenzaldehyde, 2,4,5-trimethylphenol, and
3-methyl-3-hexene-2,5-dione and products of OH +
1,2,4,5-tetramethylbenzene, J. Phys. Chem., 117, 2556–2568,
https://doi.org/10.1021/jp8074018, 2013.
Atkinson, R.: Kinetics and mechanisms of the gas-phase reactions of the
hydroxyl radical with organic compounds, J. Phys. Chem. Ref. Data, 1, 1–246, 1989.
Atkinson, R. and Aschmann, S. M.: Products of the gas-phase reactions of
aromatic hydrocarbons: Effect of NO2 concentration, Int. J. Chem. Kinet., 26, 929–944, https://doi.org/10.1002/kin.550260907, 1994.
Atkinson, R., Aschmann, S. M., Arey, J., Barbara, Z., and Schuetzle, D.:
Gas-phase atmospheric chemistry of 1- and 2-nitronaphthalene and
1,4-naphthoquinone, Atmos. Environ., 23, 2679–2690,
https://doi.org/10.1016/0004-6981(89)90548-9, 1989.
Atkinson, R., Aschmann, S. M., and Arey, J.: Reactions of hydroxyl and
nitrogen trioxide radicals with phenol, cresols, and 2-nitrophenol at 296 ± 2 K, Environ. Sci. Technol., 26, 1397–1403,
https://doi.org/10.1021/es00031a018, 1992.
Atkinson, R., Baulch, D. L., Cox, R. A., Crowley, J. N., Hampson, R. F., Hynes, R. G., Jenkin, M. E., Rossi, M. J., and Troe, J.: Evaluated kinetic and photochemical data for atmospheric chemistry: Volume I – gas phase reactions of Ox, HOx, NOx and SOx species, Atmos. Chem. Phys., 4, 1461–1738, https://doi.org/10.5194/acp-4-1461-2004, 2004.
Bejan, I., Abd El Aal, Y., Barnes, I., Benter, T., Bohn, B., Wiesen, P., and
Kleffmann, J.: The photolysis of ortho-nitrophenols: a new gas phase source
of HONO, Phys. Chem. Chem. Phys., 8, 2028, https://doi.org/10.1039/b516590c,
2006.
Bejan, I., Barnes, I., Olariu, R., Zhou, S., Wiesen, P., and Benter, T.:
Investigations on the gas-phase photolysis and OH radical kinetics of
methyl-2-nitrophenols, Phys. Chem. Chem. Phys., 9, 5686,
https://doi.org/10.1039/b709464g, 2007.
Bejan, I., Schurmann, A., Barnes, I., and Benter, T.: Kinetics of the
gas-phase reactions of OH radicals with a series of trimethylphenols, Int.
J. Chem. Kinet., 44, 117–124, https://doi.org/10.1002/kin.20618, 2012.
Bejan, I., Olariu, R., and Wiesen, P.: Secondary organic aerosol formation
from nitrophenols photolysis under atmospheric conditions, Atmosphere, 11, 1346, https://doi.org/10.3390/atmos11121346, 2020.
Bejan, I. G.: Investigations on the gas phase atmospheric chemistry of
nitrophenols and catechols, PhD thesis, Bergische Universität Wuppertal, http://d-nb.info/984997873/34 (last access: 1 February 2021), 2006.
Belloli, R., Bolzacchini, E., Clerici, L., Rindone, B., Sesana, G., and
Librando, V.: Nitrophenols in air and rainwater, Environ. Eng. Sci., 23,
405–415, https://doi.org/10.1089/ees.2006.23.405, 2006.
Berndt, T. and Böge, O.: Gas-phase reaction of OH radicals with phenol, Phys. Chem. Chem. Phys., 5, 342–350, https://doi.org/10.1039/B208187C, 2003.
Bloss, C., Wagner, V., Jenkin, M. E., Volkamer, R., Bloss, W. J., Lee, J. D., Heard, D. E., Wirtz, K., Martin-Reviejo, M., Rea, G., Wenger, J. C., and Pilling, M. J.: Development of a detailed chemical mechanism (MCMv3.1) for the atmospheric oxidation of aromatic hydrocarbons, Atmos. Chem. Phys., 5, 641–664, https://doi.org/10.5194/acp-5-641-2005, 2005.
Brown, H. and Okamoto, Y.: Electrophilic substituent constants, J. Am. Chem.
Soc., 80, 4979–4987, 1958.
Calvert, J. G., Atkinson, R., Becker, K. H., Kamens, R. M., Seinfeld, J. H.,
Wallington, T. J., and Yarwood, G.: The mechanisms of atmospheric oxidation
of the aromatic hydrocarbons, Oxford University Press, 566 pp., ISBN 9780195146288, 2002.
Coeur-Tourneur, C., Henry, F., Janquin, M. A., and Brutier, L.: Gas-phase
reaction of hydroxyl radicals with m-, o- and p-cresol, Int. J. Chem.
Kinet., 38, 553–562, https://doi.org/10.1002/kin.20186, 2006.
Coeur-Tourneur, C., Foulon, V., and Laréal, M.: Determination of aerosol
yields from 3-methylcatechol and 4-methylcatechol ozonolysis in a simulation
chamber, Atmos. Environ., 44, 852–857,
https://doi.org/10.1016/j.atmosenv.2009.11.027, 2010a.
Coeur-Tourneur, C., Cassez, A., and Wenger, J. C.: Rate coefficients for the
gas-phase reaction of hydroxyl radicals with 2-methoxyphenol (guaiacol) and
related compounds, J. Phys. Chem. A, 114, 11645–11650,
https://doi.org/10.1021/jp1071023, 2010b.
Delhomme, O., Morville, S., and Millet, M.: Seasonal and diurnal variations
of atmospheric concentrations of phenols and nitrophenols measured in the
Strasbourg area, France, Atmos. Pollut. Res., 1, 16–22,
https://doi.org/10.5094/APR.2010.003, 2010.
DeMore, W. B., Sander, S. P., Golden, D. M., Hampson, R. F., Kurylo, M. J., Howard, C. J., Ravishankara, A. R., Kolb, C. E., and Molina, M. J.: Chemical kinetics and photochemical data for use in stratospheric modeling, Jet Propulsion Laboratory, Pasadena, CA, NASA Evaluation No. 13, JPL Publication 97-4, 24–26, https://jpldataeval.jpl.nasa.gov/pdf/Atmos97_Anotated.pdf (last access: 10 March 2021), 1997.
Finewax, Z., De Gouw, J. A., and Ziemann, P. J.: Identification and
quantification of 4-nitrocatechol formed from OH and NO3 radical-initiated
reactions of catechol in air in the presence of NOx: implications for
secondary organic aerosol formation from biomass burning, Environ. Sci.
Technol., 52, 1981–1989, https://doi.org/10.1021/acs.est.7b05864, 2018.
Finlayson-Pitts, B. J. and Pitts, J. N.: Chemistry of the upper and lower
atmosphere, Academic Press, https://doi.org/10.1016/B978-012257060-5/50007-1, 2000.
Grosjean, D.: Atmospheric fate of toxic aromatic compounds, Sci. Total
Environ., 100, 367–414, https://doi.org/10.1016/0048-9697(91)90386-S, 1991.
Harrison, M. A. J., Barra, S., Borghesi, D., Vione, D., Arsene, C., and
Iulian Olariu, R.: Nitrated phenols in the atmosphere: A review, Atmos.
Environ., 39, 231–248, https://doi.org/10.1016/j.atmosenv.2004.09.044,
2005.
Herterich, R.: Gas chromatographic determination of nitrophenols in
atmospheric liquid water and airborne particulates, J. Chromatogr. A, 549,
313–324, https://doi.org/10.1016/S0021-9673(00)91442-0, 1991.
Herterich, R. and Herrmann, R.: Comparing the distribution of nitrated
phenols in the atmosphere of two German hill sites, Environ. Technol., 11,
961–972, https://doi.org/10.1080/09593339009384948, 1990.
Hofzumahaus, A., Kraus, A., and Müller, M.: Solar actinic flux
spectroradiometry: a technique for measuring photolysis frequencies in the
atmosphere, Appl. Opt., 38, 4443, https://doi.org/10.1364/ao.38.004443,
1999.
Iinuma, Y., Böge, O., and Herrmann, H.: Methyl-nitrocatechols:
Atmospheric tracer compounds for biomass burning secondary organic aerosols,
Environ. Sci. Technol., 44, 8453–8459, https://doi.org/10.1021/es102938a,
2010.
Ikemori, F., Nakayama, T., and Hasegawa, H.: Characterization and possible
sources of nitrated mono- and di-aromatic hydrocarbons containing hydroxyl
and/or carboxyl functional groups in ambient particles in Nagoya, Japan,
Atmos. Environ., 211, 91–102,
https://doi.org/10.1016/j.atmosenv.2019.05.009, 2019.
Jenkin, M. E., Derwent, R. G., and Wallington, T. J.: Photochemical ozone
creation potentials for volatile organic compounds: Rationalization and
estimation, Atmos. Environ., 163, 128–137,
https://doi.org/10.1016/j.atmosenv.2017.05.024, 2017.
Jenkin, M. E., Valorso, R., Aumont, B., Rickard, A. R., and Wallington, T. J.: Estimation of rate coefficients and branching ratios for gas-phase reactions of OH with aliphatic organic compounds for use in automated mechanism construction, Atmos. Chem. Phys., 18, 9297–9328, https://doi.org/10.5194/acp-18-9297-2018, 2018a.
Jenkin, M. E., Valorso, R., Aumont, B., Rickard, A. R., and Wallington, T. J.: Estimation of rate coefficients and branching ratios for gas-phase reactions of OH with aromatic organic compounds for use in automated mechanism construction, Atmos. Chem. Phys., 18, 9329–9349, https://doi.org/10.5194/acp-18-9329-2018, 2018b.
Kitanovski, Z., Grgić, I., Yasmeen, F., Claeys, M., and Čusak, A.:
Development of a liquid chromatographic method based on ultraviolet-visible
and electrospray ionization mass spectrometric detection for the
identification of nitrocatechols and related tracers in biomass burning
atmospheric organic aerosol, Rapid Commun. Mass Spectrom., 26, 793–804,
https://doi.org/10.1002/rcm.6170, 2012a.
Kitanovski, Z., Grgić, I., Vermeylen, R., Claeys, M., and Maenhaut, W.:
Liquid chromatography tandem mass spectrometry method for characterization
of monoaromatic nitro-compounds in atmospheric particulate matter, J.
Chromatogr. A, 1268, 35–43, https://doi.org/10.1016/j.chroma.2012.10.021,
2012b.
Kitanovski, Z., Hovorka, J., Kuta, J., Leoni, C., Prokeš, R.,
Sáňka, O., Shahpoury, P., and Lammel, G.: Nitrated monoaromatic
hydrocarbons (nitrophenols, nitrocatechols, nitrosalicylic acids) in ambient
air: levels, mass size distributions and inhalation bioaccessibility,
Environ. Sci. Pollut. Res., 28, 59131–59140, https://doi.org/10.1007/s11356-020-09540-3, 2021.
Klotz, B., Barnes, I., Becker, K. H., and Golding, B. T.: Atmospheric
chemistry of benzene oxide/oxepin, J. Chem. Soc. Faraday Trans., 93,
1507–1516, https://doi.org/10.1039/a606152d, 1997.
Klotz, B., Sørensen, S., Barnes, I., Becker, K. H., Etzkorn, T.,
Volkamer, R., Platt, U., Wirtz, K., and Martın-Reviejo, M.: Atmospheric
oxidation of toluene in a large-volume outdoor photoreactor: In situ
determination of ring-retaining product yields, J. Phys. Chem. A, 102,
10289–10299, https://doi.org/10.1021/jp982719n, 1998.
Klotz, B., Volkamer, R., Hurley, M. D., Andersen, M. P. S., Nielsen, O. J.,
Barnes, I., Imamura, T., Wirtz, K., Becker, K. H., Platt, U., Wallington, T.
J., and Washida, N.: OH-initiated oxidation of benzene part II. Influence of
elevated NOx concentrations, Phys. Chem. Chem. Phys., 4, 4399–4411,
https://doi.org/10.1039/b204398j, 2002.
Kwok, E. and Atkinson, R.: Estimation of hydroxyl radical reaction rate
constants for gas-phase organic compounds using a structure-reactivity
relationship: An update, Atmos. Environ., 29, 1685–1695,
https://doi.org/10.1016/1352-2310(95)00069-B, 1995.
Lanzafame, G. M., Srivastava, D., Favez, O., Bandowe, B. A. M., Shahpoury,
P., Lammel, G., Bonnaire, N., Alleman, L. Y., Couvidat, F., Bessagnet, B.,
and Albinet, A.: One-year measurements of secondary organic aerosol (SOA)
markers in the Paris region (France): Concentrations, gas/particle
partitioning and SOA source apportionment, Sci. Total Environ., 757, 143921,
https://doi.org/10.1016/j.scitotenv.2020.143921, 2021.
Lauraguais, A., Coeur-Tourneur, C., Cassez, A., Deboudt, K., Fourmentin, M.,
and Choël, M.: Atmospheric reactivity of hydroxyl radicals with guaiacol
(2-methoxyphenol), a biomass burning emitted compound: Secondary organic
aerosol formation and gas-phase oxidation products, Atmos. Environ., 86, 155–163, https://doi.org/10.1016/j.atmosenv.2013.11.074, 2014.
Lauraguais, A., Bejan, I., Barnes, I., Wiesen, P., and Coeur, C.: Rate
coefficients for the gas-phase reactions of hydroxyl radicals with a series
of methoxylated aromatic compounds, J. Phys. Chem. A, 119, 6179–6187,
https://doi.org/10.1021/acs.jpca.5b03232, 2015.
Leuenberger, C., Czuczwa, J., Heyerdahl, E., and Giger, W.: Aliphatic and
polycyclic aromatic hydrocarbons in urban rain, snow and fog, Atmos.
Environ., 22, 695–705, https://doi.org/10.1016/0004-6981(88)90007-8, 1988.
Lin, P., Aiona, P. K., Li, Y., Shiraiwa, M., Laskin, J., Nizkorodov, S. A.,
and Laskin, A.: Molecular characterization of brown carbon in biomass
burning aerosol particles, Environ. Sci. Technol., 50, 11815–11824,
https://doi.org/10.1021/acs.est.6b03024, 2016.
Lüttke, J., Scheer, V., Levsen, K., Wünsch, G., Cape, J. N.,
Hargreaves, K. J., Storeton-West, R. L., Acker, K., Wieprecht, W., and
Jones, B.: Occurrence and formation of nitrated phenols in and out of cloud,
Atmos. Environ., 31, 2637–2648, https://doi.org/10.1016/S1352-2310(96)00229-4, 1997.
Olariu, R. I., Barnes, I., Becker, K. H., and Klotz, B.: Rate coefficients
for the gas-phase reaction of OH radicals with selected dihydroxybenzenes
and benzoquinones, Int. J. Chem. Kinet., 32, 696–702, 2000.
Olariu, R. I., Klotz, B., Barnes, I., Becker, K. H., and Mocanu, R.: FT-IR
study of the ring-retaining products from the reaction of OH radicals with
phenol, o-, m-, and p-cresol, Atmos. Environ., 36, 3685–3697,
https://doi.org/10.1016/S1352-2310(02)00202-9, 2002.
Olariu, R. I., Bejan, I., Barnes, I., Klotz, B., Becker, K. H., and Wirtz,
K.: Rate coefficients for the gas-phase reaction of NO3 radicals with
selected dihydroxybenzenes, Int. J. Chem. Kinet., 36, 577–583,
https://doi.org/10.1002/kin.20029, 2004.
Olariu, R. I., Barnes, I., Bejan, I., Arsene, C., Vione, D., Klotz, B., and
Becker, K. H.: FT-IR product study of the reactions of NO3 radicals with
ortho-, meta-, and para-cresol, Environ. Sci. Technol., 47, 7729–7738,
https://doi.org/10.1021/es401096w, 2013.
Palumbo, A., Napolitano, A., and D'Ischia, M.: Nitrocatechols versus
nitrocatecholamines as novel competitive inhibitors of neuronal nitric oxide
synthase: Lack of the aminoethyl side chain determines loss of
tetrahydrobiopterin-antagonizing properties, Bioorganic Med. Chem. Lett.,
12, 13–16, https://doi.org/10.1016/S0960-894X(01)00680-1, 2002.
Phousongphouang, P. T. and Arey, J.: Rate constants for the photolysis of
the nitronaphthalenes and methylnitronaphthalenes, J. Photochem. Photobiol.
A Chem., 157, 301–309, https://doi.org/10.1016/S1010-6030(03)00072-8, 2003.
Piccot, S. D., Watson, J. J., and Jones, J. W.: A global inventory of
volatile organic compound emissions from anthropogenic sources, J. Geophys.
Res., 97, 9897–9912, https://doi.org/10.1029/92JD00682, 1992.
Prinn, R. G., Weiss, R. F., Miller, B. R., Huang, J., Alyea, F. N., Cunnold,
D. M., Fraser, P. J., Hartley, D. E., and Simmonds, P. G.: Atmospheric
trends and lifetime of CH3CCl3 and global OH concentrations, Science, 269, 187–192, https://doi.org/10.1126/science.269.5221.187, 1995.
Richartz, H., Reischl, A., Trautner, F., and Hutzinger, O.: Nitrated phenols
in fog, Atmos. Environ. Part A, Gen. Top., 24, 3067–3071,
https://doi.org/10.1016/0960-1686(90)90485-6, 1990.
Roman, C., Roman, T., Arsene, C., Bejan, I. G., and Olariu, R. I.: Gas-phase
IR cross-sections and single crystal structures data for atmospheric
relevant nitrocatechols, Spectrochim. Acta-Part A Mol. Biomol. Spectrosc.,
265, 120379, https://doi.org/10.1016/j.saa.2021.120379, 2022.
Rosenblatt, D. H., Epstein, T., and Levitch, M.: Some nuclearly substituted
catechols and their acid dissociation constants, J. Am. Chem. Soc., 75,
3277–3278, https://doi.org/10.1021/ja01109a511, 1953.
Rubio, M. A., Lissi, E., Herrera, N., Pérez, V., and Fuentes, N.: Phenol
and nitrophenols in the air and dew waters of Santiago de Chile,
Chemosphere, 86, 1035–1039, https://doi.org/10.1016/j.chemosphere.2011.11.046, 2012.
Salvador, C. M. G., Tang, R., Priestley, M., Li, L., Tsiligiannis, E., Le Breton, M., Zhu, W., Zeng, L., Wang, H., Yu, Y., Hu, M., Guo, S., and Hallquist, M.: Ambient nitro-aromatic compounds – biomass burning versus secondary formation in rural China, Atmos. Chem. Phys., 21, 1389–1406, https://doi.org/10.5194/acp-21-1389-2021, 2021.
Schauer, J. J., Kleeman, M. J., Cass, G. R., and Simoneit, B. R. T.:
Measurement of emissions from air pollution sources. 3. C1-C29 organic
compounds from fireplace combustion of wood, Environ. Sci. Technol., 35,
1716–1728, https://doi.org/10.1021/es001331e, 2001.
Schwantes, R. H., Schilling, K. A., McVay, R. C., Lignell, H., Coggon, M. M., Zhang, X., Wennberg, P. O., and Seinfeld, J. H.: Formation of highly oxygenated low-volatility products from cresol oxidation, Atmos. Chem. Phys., 17, 3453–3474, https://doi.org/10.5194/acp-17-3453-2017, 2017.
Sørensen, M., Hurley, M. D., Wallington, T. J., Dibble, T. S., and
Nielsen, O. J.: Do aerosols act as catalysts in the OH radical initiated
atmospheric oxidation of volatile organic compounds?, Atmos. Environ., 36,
5947–5952, https://doi.org/10.1016/S1352-2310(02)00766-5, 2002.
Taylor, W. D., Allston, T. D., Moscato, M. J., Fazekas, G. B., Kozlowski,
R., and Takacs, G. A.: Atmospheric photodissociation lifetimes for
nitromethane, methyl nitrite, and methyl nitrate, Int. J. Chem. Kinet., 12,
231–240, https://doi.org/10.1002/kin.550120404, 1980.
Thüner, L. P., Bardini, P., Rea, G. J., and Wenger, J. C.: Kinetics of
the gas-phase reactions of OH and NO3 radicals with dimethylphenols, J.
Photochem. Photobiol. A Chem., 108, 11019–11025,
https://doi.org/10.1021/jp046358p, 2004.
Vanni, A., Pellegrino, V., Gamberini, R., and Calabria, A.: An evidence for
nitrophenols contamination in Antarctic fresh-water and snow. Simultaneous
determination of nitrophenols and nitroarenes at ng/L levels, Int. J.
Environ. Anal. Chem., 79, 349–365,
https://doi.org/10.1080/03067310108044394, 2001.
Vidović, K., Lašič Jurković, D., Šala, M., Kroflič,
A., and Grgić, I.: Nighttime aqueous-phase formation of nitrocatechols
in the atmospheric condensed phase, Environ. Sci. Technol., 52, 9722–9730,
https://doi.org/10.1021/acs.est.8b01161, 2018.
Volkamer, R., Klotz, B., Barnes, I., Imamura, T., Wirtz, K., Washida, N.,
Becker, K. H., and Platt, U.: OH-initiated oxidation of benzene, Phys. Chem.
Chem. Phys., 4, 1598–1610, https://doi.org/10.1039/b108747a, 2002.
Vozňáková, Z., Podehradská, J., and Kohlíčková,
M.: Determination of nitrophenols in soil, Chemosphere, 33, 285–291,
https://doi.org/10.1016/0045-6535(96)00171-3, 1996.
Wang, Z., Zhang, J., Zhang, L., Liang, Y., and Shi, Q.: Characterization of
nitroaromatic compounds in atmospheric particulate matter from Beijing,
Atmos. Environ., 246, 118046,
https://doi.org/10.1016/j.atmosenv.2020.118046, 2021.
Warneck, P. (Ed.): Chemistry of the natural atmosphere, second edition, Academic Press, https://doi.org/10.1016/S0074-6142(00)80028-5, 2000.
Wilson, E. W., Hamilton, W. A., Kennington, H. R., Evans, B., Scott, N. W.,
and Demore, W. B.: Measurement and estimation of rate constants for the
reactions of hydroxyl radical with several alkanes and cycloalkanes, J.
Phys. Chem. A, 110, 3593–3604, https://doi.org/10.1021/jp055841c, 2006.
Witte, F., Urbanik, E., and Zetzsch, C.: Temperature dependence of the rate
constants for the addition of OH to benzene and to some monosubstituted
aromatics (aniline, bromobenzene, and nitrobenzene) and the unimolecular
decay of the adducts. Kinetics into a quasi-equilibrium, J. Phys. Chem., 90,
3251–3259, https://doi.org/10.1021/j100405a040, 1986.
Zetzsch, C.: Predicting the rate of OH-addition to aromatics using σ+-electrophilic substituents constants for mono- and polysubstituted
benzene, in: XIth Informal Conference on Photochemistry, 27 June–1 July 1982, Stanford, California, USA, 1982.
Zhang, Y., Forrister, H., Liu, J., Dibb, J., Anderson, B., Schwarz, J. P.,
Perring, A. E., Jimenez, J. L., Campuzano-Jost, P., Wang, Y., Nenes, A., and
Weber, R. J.: Top-of-atmosphere radiative forcing affected by brown carbon
in the upper troposphere, Nat. Geosci., 10, 486–489,
https://doi.org/10.1038/ngeo2960, 2017.
Short summary
Gas-phase reaction rate coefficients of OH radicals with four nitrocatechols have been investigated for the first time by using ESC-Q-UAIC chamber facilities. The reactivity of all investigated nitrocatechols is influenced by the formation of the intramolecular H-bonds that are connected to the deactivating electromeric effect of the NO2 group. For the 3-nitrocatechol compounds, the electromeric effect of the
freeOH group is diminished by the deactivating E-effect of the NO2 group.
Gas-phase reaction rate coefficients of OH radicals with four nitrocatechols have been...
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