Criegee intermediates and their impacts on the troposphere

Khan, M. A.  H.; Percival, C. J.; Caravan, R. L.; Taatjes, C. A.; Shallcross, D. E.

doi:10.1039/C7EM00585G

Title: Criegee intermediates and their impacts on the troposphere

Journal Article · 15 February 2018 · Environmental Science: Processes & Impacts

DOI: https://doi.org/10.1039/C7EM00585G · OSTI ID:1426808

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University of Bristol (United Kingdom). School of Chemistry
California Inst. of Technology (CalTech), Pasadena, CA (United States). Jet Propulsion Laboratory
Sandia National Lab. (SNL-CA), Livermore, CA (United States). Combustion Research Facility

We report Criegee intermediates (CIs), carbonyl oxides formed in ozonolysis of alkenes, play key roles in the troposphere. The decomposition of CIs can be a significant source of OH to the tropospheric oxidation cycle especially during nighttime and winter months. A variety of model-measurement studies have estimated surface-level stabilized Criegee intermediate (sCI) concentrations on the order of 1 × 10⁴ cm^-3 to 1 × 10⁵ cm^-3, which makes a non-negligible contribution to the oxidising capacity in the terrestrial boundary layer. The reactions of sCI with the water monomer and the water dimer have been found to be the most important bimolecular reactions to the tropospheric sCI loss rate, at least for the smallest carbonyl oxides; the products from these reactions (e.g. hydroxymethyl hydroperoxide, HMHP) are also of importance to the atmospheric oxidation cycle. The sCI can oxidise SO₂ to form SO₃, which can go on to form a significant amount of H₂SO₄ which is a key atmospheric nucleation species and therefore vital to the formation of clouds. Lastly, the sCI can also react with carboxylic acids, carbonyl compounds, alcohols, peroxy radicals and hydroperoxides, and the products of these reactions are likely to be highly oxygenated species, with low vapour pressures, that can lead to nucleation and SOA formation over terrestrial regions.

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Research Organization:: Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences, and Biosciences Division; USDOE National Nuclear Security Administration (NNSA)

Grant/Contract Number:: AC04-94AL85000; NA0003525

OSTI ID:: 1426808

Report Number(s):: SAND-2018-1551J; ESPICZ; 660688

Journal Information:: Environmental Science: Processes & Impacts, Vol. 20, Issue 3; ISSN 2050-7887

Publisher:: Royal Society of ChemistryCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 145 works

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Research frontiers in the chemistry of Criegee intermediates and tropospheric ozonolysis Taatjes, Craig A.; Shallcross, Dudley E.; Percival, Carl J. Physical Chemistry Chemical Physics, Vol. 16, Issue 5 https://doi.org/10.1039/c3cp52842a	journal	January 2014
Global analysis of peroxy radicals and peroxy radical-water complexation using the STOCHEM-CRI global chemistry and transport model Khan, M. A. H.; Cooke, M. C.; Utembe, S. R. Atmospheric Environment, Vol. 106 https://doi.org/10.1016/j.atmosenv.2015.02.020	journal	April 2015
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Formation of secondary aerosols from gasoline vehicle exhaust when mixing with SO ₂ Liu, T.; Wang, X.; Hu, Q. Atmospheric Chemistry and Physics, Vol. 16, Issue 2 https://doi.org/10.5194/acp-16-675-2016	journal	January 2016
Pressure Dependence of Stabilized Criegee Intermediate Formation from a Sequence of Alkenes Drozd, Greg T.; Donahue, Neil M. The Journal of Physical Chemistry A, Vol. 115, Issue 17 https://doi.org/10.1021/jp2001089	journal	May 2011
Theoretical study of the reactions of Criegee intermediates with ozone, alkylhydroperoxides, and carbon monoxide Vereecken, L.; Rickard, A. R.; Newland, M. J. Physical Chemistry Chemical Physics, Vol. 17, Issue 37 https://doi.org/10.1039/C5CP03862F	journal	January 2015
The contribution of sulphuric acid to atmospheric particle formation and growth: a comparison between boundary layers in Northern and Central Europe Fiedler, V.; Dal Maso, M.; Boy, M. Atmospheric Chemistry and Physics, Vol. 5, Issue 7 https://doi.org/10.5194/acp-5-1773-2005	journal	January 2005
Temperature-Dependence of the Rates of Reaction of Trifluoroacetic Acid with Criegee Intermediates Chhantyal-Pun, Rabi; McGillen, Max R.; Beames, Joseph M. Angewandte Chemie International Edition, Vol. 56, Issue 31 https://doi.org/10.1002/anie.201703700	journal	June 2017
Estimating the atmospheric concentration of Criegee intermediates and their possible interference in a FAGE-LIF instrument Novelli, Anna; Hens, Korbinian; Tatum Ernest, Cheryl Atmospheric Chemistry and Physics, Vol. 17, Issue 12 https://doi.org/10.5194/acp-17-7807-2017	journal	January 2017
Missing SO ₂ oxidant in the coastal atmosphere? – observations from high-resolution measurements of OH and atmospheric sulfur compounds Berresheim, H.; Adam, M.; Monahan, C. Atmospheric Chemistry and Physics, Vol. 14, Issue 22 https://doi.org/10.5194/acp-14-12209-2014	journal	January 2014
Effects of Stabilized Criegee Intermediate and OH Radical Scavengers on Aerosol Formation from Reactions of β-Pinene with O 3 Docherty, Kenneth S.; Ziemann, Paul J. Aerosol Science and Technology, Vol. 37, Issue 11 https://doi.org/10.1080/02786820300930	journal	November 2003
An Estimation of the Levels of Stabilized Criegee Intermediates in the UK Urban and Rural Atmosphere Using the Steady-State Approximation and the Potential Effects of These Intermediates on Tropospheric Oxidation Cycles: AN ESTIMATION OF THE LEVELS OF STABILIZED CRIEGEE INTERMEDIATES IN THE UK H. Khan, M. Anwar; Morris, William C.; Galloway, Matthew International Journal of Chemical Kinetics, Vol. 49, Issue 8 https://doi.org/10.1002/kin.21101	journal	June 2017
Extremely rapid self-reaction of the simplest Criegee intermediate CH2OO and its implications in atmospheric chemistry Su, Yu-Te; Lin, Hui-Yu; Putikam, Raghunath Nature Chemistry, Vol. 6, Issue 6 https://doi.org/10.1038/nchem.1890	journal	March 2014
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Criegee Intermediate–Alcohol Reactions, A Potential Source of Functionalized Hydroperoxides in the Atmosphere McGillen, Max R.; Curchod, Basile F. E.; Chhantyal-Pun, Rabi ACS Earth and Space Chemistry, Vol. 1, Issue 10 https://doi.org/10.1021/acsearthspacechem.7b00108	journal	December 2017
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Reactivity of stabilized Criegee intermediates (sCIs) from isoprene and monoterpene ozonolysis toward SO ₂ and organic acids Sipilä, M.; Jokinen, T.; Berndt, T. Atmospheric Chemistry and Physics, Vol. 14, Issue 22 https://doi.org/10.5194/acp-14-12143-2014	journal	January 2014
Multiphase reactivity of gaseous hydroperoxide oligomers produced from isoprene ozonolysis in the presence of acidified aerosols Riva, Matthieu; Budisulistiorini, Sri Hapsari; Zhang, Zhenfa Atmospheric Environment, Vol. 152 https://doi.org/10.1016/j.atmosenv.2016.12.040	journal	March 2017
Atmospheric Chemistry of Criegee Intermediates: Unimolecular Reactions and Reactions with Water Long, Bo; Bao, Junwei Lucas; Truhlar, Donald G. Journal of the American Chemical Society, Vol. 138, Issue 43 https://doi.org/10.1021/jacs.6b08655	journal	October 2016
Unimolecular decay strongly limits the atmospheric impact of Criegee intermediates Vereecken, L.; Novelli, A.; Taraborrelli, D. Physical Chemistry Chemical Physics, Vol. 19, Issue 47 https://doi.org/10.1039/C7CP05541B	journal	January 2017
UV absorption probing of the conformer-dependent reactivity of a Criegee intermediate CH ₃ CHOO Sheps, Leonid; Scully, Ashley M.; Au, Kendrew Phys. Chem. Chem. Phys., Vol. 16, Issue 48 https://doi.org/10.1039/C4CP04408H	journal	January 2014
Infrared Absorption Spectrum of the Simplest Criegee Intermediate CH2OO Su, Y. -T.; Huang, Y. -H.; Witek, H. A. Science, Vol. 340, Issue 6129 https://doi.org/10.1126/science.1234369	journal	April 2013
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Rate Coefficients of C1 and C2 Criegee Intermediate Reactions with Formic and Acetic Acid Near the Collision Limit: Direct Kinetics Measurements and Atmospheric Implications Welz, Oliver; Eskola, Arkke J.; Sheps, Leonid Angewandte Chemie, Vol. 126, Issue 18 https://doi.org/10.1002/ange.201400964	journal	March 2014
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Measuring rate Constants for Reactions of the Simplest Criegee Intermediate Ch2oo by Monitoring the oh Radical Liu, Yingdi; Sander, Stanley; Bayes, Kyle Proceedings of the 69th International Symposium on Molecular Spectroscopy https://doi.org/10.15278/isms.2014.wh08	conference	June 2014
Temperature-Dependence of the Rates of Reaction of Trifluoroacetic Acid with Criegee Intermediates Chhantyal-Pun, Rabi; McGillen, Max R.; Beames, Joseph M. Angewandte Chemie, Vol. 129, Issue 31 https://doi.org/10.1002/ange.201703700	journal	June 2017
Detection and identification of Criegee intermediates from the ozonolysis of biogenic and anthropogenic VOCs: comparison between experimental measurements and theoretical calculations Giorio, Chiara; Campbell, Sj; Bruschi, M. Apollo - University of Cambridge Repository https://doi.org/10.17863/cam.9888	text	January 2017

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Calculation of the absolute photoionization cross-sections for C1–C4 Criegee intermediates and vinyl hydroperoxides Huang, Can; Yang, Bin; Zhang, Feng The Journal of Chemical Physics, Vol. 150, Issue 16 https://doi.org/10.1063/1.5088408	journal	April 2019
Fourier-transform microwave spectroscopy on weakly bound complexes of CH ₂ OO with Ar, CO, and N ₂ Nakajima, Masakazu; Endo, Yasuki The Journal of Chemical Physics, Vol. 151, Issue 6 https://doi.org/10.1063/1.5116165	journal	August 2019