{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,30]],"date-time":"2026-09-30T23:09:32Z","timestamp":1790809772110,"version":"4.1.0"},"reference-count":77,"publisher":"American Chemical Society (ACS)","issue":"1","license":[{"start":{"date-parts":[[2018,12,29]],"date-time":"2018-12-29T00:00:00Z","timestamp":1546041600000},"content-version":"vor","delay-in-days":365,"URL":"https:\/\/pubs.acs.org\/page\/policy\/authorchoice_termsofuse.html"}],"funder":[{"DOI":"10.13039\/na","name":"Atmospheric Integrated Research, University of California, Irvine","doi-asserted-by":"publisher","award":["NA"],"award-info":[{"award-number":["NA"]}],"id":[{"id":"10.13039\/na","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":[],"published-print":{"date-parts":[[2018,1,11]]},"abstract":"<jats:title>Abstract<\/jats:title>\n                  <jats:p>Reactions of the simplest Criegee intermediate (CH2OO) with a series of alcohols have been studied in a flash photolysis flow reactor. Laser photolysis of diiodomethane at 355 nm in the presence of molecular oxygen was used to produce CH2OO, and the absolute number densities were determined as a function of delay time from analysis of broadband transient absorption spectra obtained using a pulsed LED. The kinetics for the reactions of CH2OO with methanol, ethanol, and 2-propanol were measured under pseudo-first-order conditions at 295 K, yielding rate constants of (1.4 \u00b1 0.4) \u00d7 10\u201313 cm3 s\u20131, (2.3 \u00b1 0.6) \u00d7 10\u201313 cm3 s\u20131, and (1.9 \u00b1 0.5) \u00d7 10\u201313 cm3 s\u20131, respectively. Complementary ab initio calculations were performed at the CCSD(T)\/aug-cc-pVTZ\/\/CCSD\/cc-pVDZ level of theory to characterize stationary points on the reaction enthalpy and free energy surfaces and to elucidate the thermochemistry and mechanisms. The reactions proceed over free energy barriers of \u223c8 kcal mol\u20131 to form geminal alkoxymethyl hydroperoxides: methoxymethyl hydroperoxide (MMHP), ethoxymethyl hydroperoxide (EMHP), and isopropoxymethyl hydroperoxide (PMHP). The experimental and theoretical results are compared to reactions of CH2OO with other hydroxylic compounds, such as water and carboxylic acids, and trends in reactivity are discussed.<\/jats:p>","DOI":"10.1021\/acs.jpca.7b09773","type":"journal-article","created":{"date-parts":[[2017,12,29]],"date-time":"2017-12-29T10:30:26Z","timestamp":1514543426000},"page":"258-268","source":"Crossref","is-referenced-by-count":77,"title":["Kinetics of the Reactions between the Criegee Intermediate\nCH2OO and Alcohols"],"prefix":"10.1021","volume":"122","author":[{"given":"Sara V.","family":"Tadayon","sequence":"first","affiliation":[{"name":"University of California, Irvine , , ,","place":["Irvine, California, United States, 92697"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Elizabeth S.","family":"Foreman","sequence":"additional","affiliation":[{"name":"University of California, Irvine , , ,","place":["Irvine, California, United States, 92697"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Craig","family":"Murray","sequence":"additional","affiliation":[{"name":"University of California, Irvine , , ,","place":["Irvine, California, United States, 92697"]}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2017,12,29]]},"reference":[{"issue":"3\u20135","key":"2026090219334260800_cit1","doi-asserted-by":"publisher","first-page":"503","DOI":"10.1163\/156856794X00432","article-title":"Reactions of Criegee\nIntermediates in the Gas Phase","volume":"20","author":"Hatakeyama","year":"1994","journal-title":"Res. 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Soc."},{"issue":"6065","key":"2026090219334260800_cit5","doi-asserted-by":"publisher","first-page":"204","DOI":"10.1126\/science.1213229","article-title":"Direct Kinetic Measurements of Criegee\nIntermediate (CH2OO) Formed by Reaction of CH2I with O2","volume":"335","author":"Welz","year":"2012","journal-title":"Science"},{"issue":"12","key":"2026090219334260800_cit6","doi-asserted-by":"publisher","first-page":"1416","DOI":"10.1039\/b516291b","article-title":"Kinetics of the\nReactions of CH2Br and CH2I Radicals with Molecular\nOxygen at Atmospheric Temperatures","volume":"8","author":"Eskola","year":"2006","journal-title":"Phys. Chem.\nChem. 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E.; Nicklass, A.; O\u2019Neill, D. P.; Palmieri, P.; Peng, D.; Pflu\u0308ger, K.; Pitzer, R.; Reiher, M.; Shiozaki, T.; Stoll, H.; Stone, A. J.; Tarroni, R.; Thorsteinsson, T.; Wang, M. See http:\/\/www.molpro.net."},{"issue":"35","key":"2026090219334260800_cit55","doi-asserted-by":"publisher","first-page":"13126","DOI":"10.1021\/j100035a014","article-title":"Rate Constants for\nReactions of Substituted\nMethyl Radicals (CH2OCH3, CH2NH2, CH2I, and CH2CN) with O2","volume":"99","author":"Masaki","year":"1995","journal-title":"J. Phys. Chem."},{"issue":"24","key":"2026090219334260800_cit56","doi-asserted-by":"publisher","first-page":"4201","DOI":"10.1021\/jz402191w","article-title":"Absolute Ultraviolet\nAbsorption Spectrum of a Criegee Intermediate CH2OO","volume":"4","author":"Sheps","year":"2013","journal-title":"J. Phys. Chem. Lett."},{"issue":"22","key":"2026090219334260800_cit57","doi-asserted-by":"publisher","first-page":"10438","DOI":"10.1039\/C4CP00877D","article-title":"The\nUV Absorption Spectrum of the Simplest Criegee Intermediate CH2OO","volume":"16","author":"Ting","year":"2014","journal-title":"Phys. Chem. Chem. Phys."},{"issue":"1\u20133","key":"2026090219334260800_cit58","doi-asserted-by":"publisher","first-page":"50","DOI":"10.1016\/j.jphotochem.2005.08.023","article-title":"Spectroscopic Studies\nof the I2\/O3 Photochemistry: Part 2. Improved\nSpectra of Iodine Oxides and Analysis of the IO Absorption Spectrum","volume":"176","author":"Spietz","year":"2005","journal-title":"J. Photochem. Photobiol., A"},{"issue":"10","key":"2026090219334260800_cit59","doi-asserted-by":"publisher","first-page":"1250","DOI":"10.1246\/bcsj.81.1250","article-title":"Reaction Mechanisms\nof IO Radical Formation from the Reaction of CH3I with\nCl Atom in the Presence of O2","volume":"81","author":"Enami","year":"2008","journal-title":"Bull.\nChem. Soc. Jpn."},{"issue":"18","key":"2026090219334260800_cit60","doi-asserted-by":"publisher","first-page":"3928","DOI":"10.1002\/cphc.201000575","article-title":"A Multidimensional\nStudy of the Reaction CH2I+O2: Products and\nAtmospheric Implications","volume":"11","author":"Gravestock","year":"2010","journal-title":"ChemPhysChem"},{"issue":"34","key":"2026090219334260800_cit61","doi-asserted-by":"publisher","first-page":"8981","DOI":"10.1021\/acs.jpca.5b05058","article-title":"Kinetics of IO Production in the CH2I +\nO2 Reaction Studied by Cavity Ring-Down Spectroscopy","volume":"119","author":"Foreman","year":"2015","journal-title":"J. Phys. Chem. A"},{"issue":"D11","key":"2026090219334260800_cit62","doi-asserted-by":"publisher","first-page":"12819","DOI":"10.1029\/97JD00530","article-title":"Temperature Dependence\nof UV Absorption Cross Sections\nand Atmospheric Implications of Several Alkyl Iodides","volume":"102","author":"Roehl","year":"1997","journal-title":"J. Geophys. Res."},{"issue":"10","key":"2026090219334260800_cit63","doi-asserted-by":"publisher","first-page":"1391","DOI":"10.1039\/a709160e","article-title":"UV-VIS Absorption Cross-Sections\nand Atmospheric Lifetimes of CH2Br2, CH2I2 and CH2BrI","volume":"94","author":"Mo\u0308ssinger","year":"1998","journal-title":"J. Chem. Soc.,\nFaraday Trans."},{"issue":"49","key":"2026090219334260800_cit64","doi-asserted-by":"publisher","first-page":"9421","DOI":"10.1021\/jp971663e","article-title":"Energetics,\nKinetics, and Product Distributions of the Reactions of Ozone with\nEthene and 2,3-Dimethyl-2-Butene","volume":"101","author":"Olzmann","year":"1997","journal-title":"J. Phys. Chem.\nA"},{"issue":"6","key":"2026090219334260800_cit65","doi-asserted-by":"publisher","first-page":"4076","DOI":"10.1039\/C4CP04186K","article-title":"Kinetics of Stabilised\nCriegee Intermediates Derived from Alkene Ozonolysis: Reactions with\nSO2, H2O and Decomposition under Boundary Layer\nConditions","volume":"17","author":"Newland","year":"2015","journal-title":"Phys. Chem. Chem. Phys."},{"issue":"13","key":"2026090219334260800_cit66","doi-asserted-by":"publisher","first-page":"2224","DOI":"10.1021\/jz5008406","article-title":"Direct\nDetermination of the Simplest\nCriegee Intermediate (CH2OO) Self Reaction Rate","volume":"5","author":"Buras","year":"2014","journal-title":"J. Phys. Chem. Lett."},{"issue":"6","key":"2026090219334260800_cit67","doi-asserted-by":"publisher","first-page":"477","DOI":"10.1038\/nchem.1890","article-title":"Extremely Rapid\nSelf-Reaction of the Simplest Criegee\nIntermediate CH2OO and Its Implications in Atmospheric\nChemistry","volume":"6","author":"Su","year":"2014","journal-title":"Nat. Chem."},{"key":"2026090219334260800_cit68","doi-asserted-by":"publisher","first-page":"664","DOI":"10.1021\/acsearthspacechem.7b00108","article-title":"Criegee Intermediate\u2013Alcohol\nReactions, A Potential\nSource of Functionalized Hydroperoxides in the Atmosphere","volume":"1","author":"McGillen","year":"2017","journal-title":"ACS Earth Space Chem."},{"issue":"25","key":"2026090219334260800_cit69","doi-asserted-by":"publisher","first-page":"6129","DOI":"10.1021\/jp004631r","article-title":"Kinetics of the Gas-Phase Reactions of Alcohols, Aldehydes,\nCarboxylic Acids, and Water with the C13 Stabilized Criegee Intermediate\nFormed from Ozonolysis of 1-Tetradecene","volume":"105","author":"Tobias","year":"2001","journal-title":"J.\nPhys. Chem. A"},{"issue":"17","key":"2026090219334260800_cit70","doi-asserted-by":"publisher","first-page":"3394","DOI":"10.1021\/jp067817k","article-title":"Computational Study\nof the Reaction between Biogenic Stabilized Criegee Intermediates\nand Sulfuric Acid","volume":"111","author":"Kurte\u0301n","year":"2007","journal-title":"J. Phys. Chem. A"},{"key":"2026090219334260800_cit71","unstructured":"Ruscic, B.\n          \n          Active Thermochemical\nTables (ATcT) Values Based on Ver. 1.122 of the Thermochemical Network; Available at https:\/\/ATcT.Anl.Gov, 2015."},{"issue":"35","key":"2026090219334260800_cit72","doi-asserted-by":"publisher","first-page":"6911","DOI":"10.1021\/jp991459m","article-title":"Competitive\nThreshold Collision-Induced Dissociation:\u2009\nGas-Phase Acidities and Bond Dissociation Energies for a Series of\nAlcohols","volume":"103","author":"DeTuri","year":"1999","journal-title":"J. Phys. Chem. A"},{"issue":"12","key":"2026090219334260800_cit73","doi-asserted-by":"publisher","first-page":"5184","DOI":"10.1021\/j100375a076","article-title":"Thermodynamics of the\nAssociation Reactions OH\u2013 + H2O \u2192\nHOHOH\u2013 and CH3O\u2013 +\nCH3OH \u2192\nCH3OHOCH3\u2013 in the Gas Phase","volume":"94","author":"Paul","year":"1990","journal-title":"J. Phys. Chem."},{"issue":"3\u20134","key":"2026090219334260800_cit74","doi-asserted-by":"publisher","first-page":"412","DOI":"10.1016\/S0009-2614(02)01585-3","article-title":"Argon Predissociation\nInfrared Spectroscopy of the Hydroxide\u2013water Complex (OH\u2013\u00b7H2O)","volume":"366","author":"Price","year":"2002","journal-title":"Chem.\nPhys. Lett."},{"issue":"12","key":"2026090219334260800_cit75","doi-asserted-by":"publisher","first-page":"4657","DOI":"10.1021\/cr020527p","article-title":"The Atmospheric\nChemistry of Alkoxy\nRadicals","volume":"103","author":"Orlando","year":"2003","journal-title":"Chem. Rev."},{"issue":"42","key":"2026090219334260800_cit76","doi-asserted-by":"publisher","first-page":"14682","DOI":"10.1039\/c2cp42300f","article-title":"The Reaction\nof Criegee Intermediates\nwith NO, RO2, and SO2, and Their Fate in the\nAtmosphere","volume":"14","author":"Vereecken","year":"2012","journal-title":"Phys. Chem. Chem. Phys."},{"issue":"9","key":"2026090219334260800_cit77","doi-asserted-by":"publisher","first-page":"4039","DOI":"10.1039\/c3cp54514h","article-title":"The Reactions\nof Criegee Intermediates\nwith Alkenes, Ozone, and Carbonyl Oxides","volume":"16","author":"Vereecken","year":"2014","journal-title":"Phys.\nChem. Chem. 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