Articles | Volume 19, issue 6
Research article
02 Apr 2019
Research article |  | 02 Apr 2019

Mechanistic and kinetics investigations of oligomer formation from Criegee intermediate reactions with hydroxyalkyl hydroperoxides

Long Chen, Yu Huang, Yonggang Xue, Zhenxing Shen, Junji Cao, and Wenliang Wang


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Short summary
The present calculations show that the sequential addition of CIs to HHPs affords oligomers containing CIs as chain units. The addition of an –OOH group in HHPs to the central carbon atom of CIs is identified as the most energetically favorable channel, with a barrier height strongly dependent on both CI substituent number (one or two) and position (syn- or anti-). In particular, the introduction of a methyl group into the anti-position significantly increases the rate coefficient.
Final-revised paper