Atmospheric Chemistry and Physics
Atmospheric Chemistry and Physics
ACP
Articles | Volume 22, issue 22
Articles | Volume 22, issue 22
https://doi.org/10.5194/acp-22-14529-2022
© Author(s) 2022. This work is distributed under
the Creative Commons Attribution 4.0 License.
https://doi.org/10.5194/acp-22-14529-2022
© Author(s) 2022. This work is distributed under
the Creative Commons Attribution 4.0 License.
Articles | Volume 22, issue 22
Research article
 | 
16 Nov 2022
Research article |  | 16 Nov 2022

Oligomer formation from the gas-phase reactions of Criegee intermediates with hydroperoxide esters: mechanism and kinetics

Long Chen, Yu Huang, Yonggang Xue, Zhihui Jia, and Wenliang Wang

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Latest update: 25 Apr 2024
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Short summary
Quantum chemical methods are applied to gain insight into the oligomerization reaction mechanisms and kinetics of distinct stabilized Criegee intermediate (SCI) reactions with hydroperoxide esters, where calculations show that SCI addition reactions with hydroperoxide esters proceed through the successive insertion of SCIs to form oligomers that involve SCIs as the repeating unit. The saturated vapor pressure of the formed oligomers decreases monotonically with the increasing number of SCIs.
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