Theoretical investigations on the kinetics of dimethoxymethane with peroxy radicals
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DOI: 10.1016/j.cplett.2020.137846
Abstract: Abstract The reaction kinetics of dimethoxymethane (DMM) towards H atom abstraction by hydroperoxy and methyl peroxy radicals were investigated using the G4 composite method. All the studied reactions were found to be endothermic and non-spontaneous… read more here.
Keywords: investigations kinetics; dimethoxymethane peroxy; kinetics dimethoxymethane; peroxy radicals ... See more keywords
Comprehensive Theoretical Study on Four Typical Intramolecular Hydrogen Shift Reactions of Peroxy Radicals: Multireference Character, Recommended Model Chemistry, and Kinetics.
Sign Up to like & getrecommendations! Published in 2023 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.3c00033
Abstract: Intramolecular hydrogen shift reactions in peroxy radicals (RO2• → •QOOH) play key roles in the low-temperature combustion and in the atmospheric chemistry. In the present study, we found that a mild-to-moderate multireference character of a… read more here.
Keywords: peroxy radicals; chemistry; reactions peroxy; multireference ... See more keywords
Role of hydrogen migrations in carbonyl peroxy radicals in the atmosphere
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DOI: 10.1063/1674-0068/cjcp1811265
Abstract: Carbonyl peroxy radicals (RC(O)O2) are the ubiquitous radical intermediates in the atmospheric oxidation of volatile organic compounds. In this work, theoretical studies are carried out to explore the role of the unimolecular H-migration in the… read more here.
Keywords: organic compounds; volatile organic; chemistry; peroxy radicals ... See more keywords
Airborne measurement of peroxy radicals using chemical amplification coupled with cavity ring-down spectroscopy: the PeRCEAS instrument
Sign Up to like & getrecommendations! Published in 2020 at "Atmospheric Measurement Techniques"
DOI: 10.5194/amt-13-2577-2020
Abstract: Abstract. Hydroperoxyl ( HO2 ) and organic peroxy ( RO2 ) radicals have an unpaired spin and are highly reactive free radicals. Measurements of the sum of HO2 and RO2 provide unique information about the… read more here.
Keywords: perceas instrument; spectroscopy; cavity ring; peroxy radicals ... See more keywords