Accretion product formation in the self-reaction of ethene-derived hydroxy peroxy radicals
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Accretion product formation in the self-reaction of ethene-derived hydroxy peroxy radicals. / Murphy, Sara E.; Crounse, John D.; Møller, Kristian H.; Rezgui, Samir P.; Hafeman, Nicholas J.; Park, James; Kjaergaard, Henrik G.; Stoltz, Brian M.; Wennberg, Paul O.
I: Environmental Science: Atmospheres, Bind 3, Nr. 5, 2023, s. 882–893.Publikation: Bidrag til tidsskrift › Tidsskriftartikel › Forskning › fagfællebedømt
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TY - JOUR
T1 - Accretion product formation in the self-reaction of ethene-derived hydroxy peroxy radicals
AU - Murphy, Sara E.
AU - Crounse, John D.
AU - Møller, Kristian H.
AU - Rezgui, Samir P.
AU - Hafeman, Nicholas J.
AU - Park, James
AU - Kjaergaard, Henrik G.
AU - Stoltz, Brian M.
AU - Wennberg, Paul O.
N1 - Funding Information: This material is based upon work supported by the U. S. National Science Foundation under Grant No. CHE-1905340. This work was also supported by Novo Nordisk Foundation Grant NNF19OC0057374. Publisher Copyright: © 2023 RSC.
PY - 2023
Y1 - 2023
N2 - In this study we revisit one of the simplest reactions: the self-reaction of the ethene-derived hydroxyperoxy radical formed via sequential addition of ˙OH and O2 to ethene. Previous studies of this reaction suggested that the branching to ‘accretion products’, compounds containing the carbon backbone of both reactants, was minimal. Here, CF3O− GC-CIMS is used to quantify the yields of ethylene glycol, glycolaldehyde, a hydroxy hydroperoxide produced from , and a C4O4H10 accretion product. These experiments were performed in an environmental chamber at 993 hPa and 294 K. We provide evidence that the accretion product is likely dihydroxy diethyl peroxide (HOC2H4OOC2H4OH 00000000 00000000 00000000 00000000 11111111 00000000 11111111 00000000 00000000 00000000 ROOR) and forms in the gas-phase with a branching fraction of 23 ± 5%. We suggest a new channel in the chemistry leading directly to the formation of (together with glycolaldehyde and an alkoxy radical). Finally, by varying the ratio of the formation rate of and in our chamber, we constrain the ratio of the rate coefficient for the reaction of to that of and find that this ratio is 0.22 ± 0.07, consistent with previous flash photolysis studies.
AB - In this study we revisit one of the simplest reactions: the self-reaction of the ethene-derived hydroxyperoxy radical formed via sequential addition of ˙OH and O2 to ethene. Previous studies of this reaction suggested that the branching to ‘accretion products’, compounds containing the carbon backbone of both reactants, was minimal. Here, CF3O− GC-CIMS is used to quantify the yields of ethylene glycol, glycolaldehyde, a hydroxy hydroperoxide produced from , and a C4O4H10 accretion product. These experiments were performed in an environmental chamber at 993 hPa and 294 K. We provide evidence that the accretion product is likely dihydroxy diethyl peroxide (HOC2H4OOC2H4OH 00000000 00000000 00000000 00000000 11111111 00000000 11111111 00000000 00000000 00000000 ROOR) and forms in the gas-phase with a branching fraction of 23 ± 5%. We suggest a new channel in the chemistry leading directly to the formation of (together with glycolaldehyde and an alkoxy radical). Finally, by varying the ratio of the formation rate of and in our chamber, we constrain the ratio of the rate coefficient for the reaction of to that of and find that this ratio is 0.22 ± 0.07, consistent with previous flash photolysis studies.
U2 - 10.1039/d3ea00020f
DO - 10.1039/d3ea00020f
M3 - Journal article
AN - SCOPUS:85151846653
VL - 3
SP - 882
EP - 893
JO - Environmental Science: Atmospheres
JF - Environmental Science: Atmospheres
SN - 2634-3606
IS - 5
ER -
ID: 345274630