State Key Lab of Loess and Quaternary Geology (SKLLQG), Institute of Earth Environment, Chinese Academy of Sciences (CAS), Xi'an 710061, China
CAS Center for Excellence in Quaternary Science and Global Change, Xi'an 710061, China
Yonggang Xue
State Key Lab of Loess and Quaternary Geology (SKLLQG), Institute of Earth Environment, Chinese Academy of Sciences (CAS), Xi'an 710061, China
CAS Center for Excellence in Quaternary Science and Global Change, Xi'an 710061, China
Zhihui Jia
School of Materials Science and Engineering, Shaanxi Normal University, Xi'an, Shaanxi 710119, China
Wenliang Wang
School of Chemistry and Chemical Engineering, Key Laboratory for Macromolecular Science of Shaanxi Province, Shaanxi Normal University, Xi'an, Shaanxi 710119, China
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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.
Quantum chemical methods are applied to gain insight into the oligomerization reaction...