Citation: HU Rong-Rong, MA Zi-Ji, YUE Hao, LIN Xiao-Xiao, WEN Zuo-Ying, ZHANG Wei-Jun, GU Xue-Jun, TANG Xiao-Feng. Investigation of Chlorine-initiated Oxidation Reactions of Nopinone by Vacuum Ultraviolet Photoionization Mass Spectrometry[J]. Chinese Journal of Analytical Chemistry, ;2022, 50(6): 948-956. doi: 10.19756/j.issn.0253-3820.221081 shu

Investigation of Chlorine-initiated Oxidation Reactions of Nopinone by Vacuum Ultraviolet Photoionization Mass Spectrometry

HU Rong-Rong ^1,2 ,
MA Zi-Ji ^1,2 ,
YUE Hao ^1,2 ,
LIN Xiao-Xiao ^1,, ,
WEN Zuo-Ying ¹ ,
ZHANG Wei-Jun ¹ ,
GU Xue-Jun ¹ ,
TANG Xiao-Feng ¹

1.
Anhui Institute of Optics&Fine Mechanics, Hefei Institutes of Physical Science, Chinese Academy of Sciences, Hefei 230031, China;
2.
Science Island Branch, Graduate School, University of Science and Technology of China, Hefei 230026, China

Corresponding author: LIN Xiao-Xiao, lxx1989@aiofm.ac.cn
Received Date: 18 February 2022
Revised Date: 4 April 2022

Fund Project: Supported by the National Natural Science Foundation of China(Nos. 42075113, 42120104007, 91961123).

A microwave discharge fast flow tube reactor was used to simulate chlorine-initiated oxidation of nopinone(C₉H₁₄O). The chemical compositions of radicals and stable products from the oxidation reactions were measured via a home-made vacuum ultraviolet photoionization time of flight mass spectrometer(VUVPI-TOFMS). The kinetic experiments of main radicals and products were also performed. By comparing the results of kinetic experiments and simulation calculations of key species,the reaction pathways of key species in the reaction were further explored. This study showed that the reaction of nopinone with Cl produced radical C₉H₁₃O via the hydrogen abstraction pathway. The radical C₉H₁₃O reacted with O₂ to mainly generate peroxy radical C₉H₁₃OO₂. Under NOx(NO and NO₂) free condition, peroxy radical C₉H₁₃OO₂ reacted with itself to produce radical C₉H₁₃OO, carbonyl compounds C₉H₁₂O₂ and C₉H₁₃OOH. In addition, the peroxy radical C₉H₁₃OO₂ could also react with HO₂ to produce hydroperoxide C₉H₁₃OO₂H. The mechanism of chlorine-initiated oxidation reactions of nopinone was also revealed through experimental studies and simulation calculations.
- Nopinone,
- Chlorine atom,
- Photoionization mass spectrometry,
- Oxidation reaction mechanism,
- Peroxy radicals
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