Articles | Volume 22, issue 22
https://doi.org/10.5194/acp-22-14529-2022
https://doi.org/10.5194/acp-22-14529-2022
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: 15 Jun 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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