Study on Self-reaction of n-Pentyl Peroxy Radical by Vacuum Ultraviolet Photoionization Mass Spectrometry
10.19756/j.issn.0253-3820.241094
- VernacularTitle:基于真空紫外光电离质谱研究正戊基过氧自由基自反应
- Author:
Ling-Yu LIU
1
;
Zi-Ji MA
;
Yu XIA
;
Xiao-Xiao LIN
;
Wei-Jun ZHANG
Author Information
1. 中国科学技术大学环境科学与光电技术学院,合肥230026;中国科学院合肥物质科学研究院安徽光学精密机械研究所,合肥230031
- Keywords:
Peroxy radicals;
Self-reaction;
Vacuum ultraviolet photoionization;
Kinetic experiments;
Dimeric product
- From:
Chinese Journal of Analytical Chemistry
2024;52(6):856-865
- CountryChina
- Language:Chinese
-
Abstract:
The n-pentyl peroxy radical (C5H11O2) is a crucial intermediate in the oxidation process of n-pentane,playing an important role in the chain propagation and termination of atmospheric radicals under low NOx conditions. The products from the self-reaction of C5H11O2 were detected online by a microwave discharge fast-flow reactor combined with a vacuum ultraviolet photoionization mass spectrometry in this work. The results indicated three product channels in the self-reaction of C5H11O2,corresponding to alkoxyl radicals (C5H11O),carbonyl compounds (C5H10O) and organic alcohol (C5H11OH),as well as dimeric products (C5H11OOC5H11). Further research was conducted to determine the original channels of the products through reaction kinetics experiments,revealing the self-reaction mechanism of C5H11O2 by comparing the experimental and the simulated results of the main products. The dimeric product C5H11OOC5H11,formed in the self-reaction of C5H11O2,was measured online for the first time,predicting its channel branching ratio to be approximately 10％. The molecular and ionic structures of the product were determined with the help of quantum chemical theoretical calculations.
