The C2H4O isomers in the oxidation of ethylene

Seifert, Nathan A.; Ruscic, Branko; Sivaramakrishnan, Raghu; Prozument, Kirill

doi:10.1016/j.jms.2023.111847

Journal of Molecular Spectroscopy

2023

DOI: 10.1016/j.jms.2023.111847

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The C2H4O isomers in the oxidation of ethylene

Nathan A. Seifert,

Branko Ruscic,

Raghu Sivaramakrishnan

et al.

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Cited by 2 publications

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Thermally Initiated Formation of Criegee Intermediate CH₂OO in the Oxidation of Ethane

Saragi,

Seifert,

Sivaramakrishnan

et al. 2024

J. Phys. Chem. Lett.

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Criegee intermediates (CIs) play an important role in atmospheric chemistry as a transient source of the OH radical through their formation by the ozonolysis of unsaturated organic compounds. Here, we report thermally initiated formation of the smallest CI (CH 2 OO) in the oxidation of ethane (CH 3 CH 3 ) that may be relevant to combustion and flames. The SiO 2 /SiC oxidation microreactor is heated to 1800 K and has a short residence time of ∼100 μs. The CH 2 OO we observe is likely formed in a lower-temperature region near the microreactor's exit. Plausible mechanisms for CH 2 OO formation and retention under these conditions mediated by methylperoxy (CH 3 OO) radicals are discussed. Pure rotational spectra of CH 2 OO and other intermediates (HO 2 , CH 3 CHO, CH 2 CHOH, c-CH 2 OCH 2 , CH 3 CH 2 CHO, CH 3 OOH, and HCOOH) are detected with a chirped-pulse Fourier transform millimeter-wave spectrometer operating in the frequency range of 60−90 GHz. Detection occurs in a molecular beam, where the species are supersonically cooled to 5 K.

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Thermally Initiated Formation of Criegee Intermediate CH₂OO in the Oxidation of Ethane

Saragi,

Seifert,

Sivaramakrishnan

et al. 2024

J. Phys. Chem. Lett.

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Accurate and reliable thermochemistry by data analysis of complex thermochemical networks using Active Thermochemical Tables: the case of glycine thermochemistry

Ruscic,

Bross

2025

Faraday Discuss.

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The C2H4O isomers in the oxidation of ethylene

Cited by 2 publications

References 69 publications

Thermally Initiated Formation of Criegee Intermediate CH₂OO in the Oxidation of Ethane

Thermally Initiated Formation of Criegee Intermediate CH₂OO in the Oxidation of Ethane

Accurate and reliable thermochemistry by data analysis of complex thermochemical networks using Active Thermochemical Tables: the case of glycine thermochemistry

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The C2H4O isomers in the oxidation of ethylene

Cited by 2 publications

References 69 publications

Thermally Initiated Formation of Criegee Intermediate CH2OO in the Oxidation of Ethane

Thermally Initiated Formation of Criegee Intermediate CH2OO in the Oxidation of Ethane

Accurate and reliable thermochemistry by data analysis of complex thermochemical networks using Active Thermochemical Tables: the case of glycine thermochemistry

Contact Info

Product

Resources

About

Thermally Initiated Formation of Criegee Intermediate CH₂OO in the Oxidation of Ethane

Thermally Initiated Formation of Criegee Intermediate CH₂OO in the Oxidation of Ethane