Dimeric Product of Peroxy Radical Self-Reaction Probed with VUV Photoionization Mass Spectrometry and Theoretical Calculations: The Case of C2H5OOC2H5
Abstract
:1. Introduction
2. Results and Discussion
2.1. VUV Lamp Photoionization Mass Spectra
2.2. Kinetics and Reaction Mechanism
2.3. Photoionization Spectrum and Structure
2.4. Potential Energy Surface of Self-Reaction
3. Materials and Methods
4. Conclusions
Supplementary Materials
Author Contributions
Funding
Data Availability Statement
Acknowledgments
Conflicts of Interest
References
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Lists | Reactions | Rate Constants a | Ref. |
---|---|---|---|
1 | C2H6 + F → C2H5 + HF | 1.07 × 10−10 | [37] |
2 | C2H5 + O2 + M → C2H5O2 + M | 4.80 × 10−12 | [38] |
3 | C2H5 +O2 → C2H4 + HO2 | 4.00 × 10−13 | [26] |
4 | C2H5 + C2H5 → C4H10 | 1.42 × 10−11 | [39] |
5 | C2H5 + C2H5 → C2H4 + C2H6 | 3.90 × 10−12 | [40] |
6 | C2H5O2 + C2H5O2 → 2C2H5O + O2 | 3.10 × 10−14 | [26] |
7 | C2H5O2 + C2H5O2 → C2H5OH + CH3CHO + O2 | 6.0 × 10−14 | [26] |
8 | C2H5O2 + C2H5O2 → C2H5OOC2H5 + O2 | 1.1 × 10−14 | This work |
9 | C2H5O2 + HO2 → C2H5OOH + O2 | 6.20 × 10−12 | [36] |
10 | C2H5O + C2H5O2 → CH3CHO + C2H5OOH | 7 × 10−12 | [26] |
11 | C2H5O + O2 → CH3CHO + HO2 | 8.00 × 10−15 | [41] |
12 | C2H5O + HO2 → C2H5OH + O2 | 1.1 × 10−10 | [42] |
13 | C2H5O2 → diffusion | 5 b | This work |
14 | HO2 → diffusion | 10 b | This work |
15 | HO2 + HO2 → H2O2 + O2 | 1.7 × 10−12 | [43] |
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Yue, H.; Zhang, C.; Lin, X.; Wen, Z.; Zhang, W.; Mostafa, S.; Luo, P.-L.; Zhang, Z.; Hemberger, P.; Fittschen, C.; et al. Dimeric Product of Peroxy Radical Self-Reaction Probed with VUV Photoionization Mass Spectrometry and Theoretical Calculations: The Case of C2H5OOC2H5. Int. J. Mol. Sci. 2023, 24, 3731. https://doi.org/10.3390/ijms24043731
Yue H, Zhang C, Lin X, Wen Z, Zhang W, Mostafa S, Luo P-L, Zhang Z, Hemberger P, Fittschen C, et al. Dimeric Product of Peroxy Radical Self-Reaction Probed with VUV Photoionization Mass Spectrometry and Theoretical Calculations: The Case of C2H5OOC2H5. International Journal of Molecular Sciences. 2023; 24(4):3731. https://doi.org/10.3390/ijms24043731
Chicago/Turabian StyleYue, Hao, Cuihong Zhang, Xiaoxiao Lin, Zuoying Wen, Weijun Zhang, Sabah Mostafa, Pei-Ling Luo, Zihao Zhang, Patrick Hemberger, Christa Fittschen, and et al. 2023. "Dimeric Product of Peroxy Radical Self-Reaction Probed with VUV Photoionization Mass Spectrometry and Theoretical Calculations: The Case of C2H5OOC2H5" International Journal of Molecular Sciences 24, no. 4: 3731. https://doi.org/10.3390/ijms24043731