| Autor: |
Lin, Xiaoxiao1 (AUTHOR), Tang, Xiaofeng1 (AUTHOR) tangxf@aiofm.ac.cn, Wen, Zuoying1 (AUTHOR), Long, Bo1,2 (AUTHOR) wwwltcommon@sina.com, Fittschen, Christa3 (AUTHOR), Gu, Xuejun1 (AUTHOR), Gai, Yanbo1 (AUTHOR), Zhang, Weijun1 (AUTHOR) wjzhang@aiofm.ac.cn |
| Předmět: |
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| Zdroj: |
Atmospheric Environment. Feb2022, Vol. 271, pN.PAG-N.PAG. 1p. |
| Abstrakt: |
The OH initiated oxidation of 1,3,5-trimethylbenzene (1,3,5-TMB) under NOx-free conditions has been investigated by using a home-made vacuum ultraviolet (VUV) photoionization aerosol mass spectrometer complemented by high-level theoretical computations. The chemical composition of the nascent particles from the oxidation reaction is measured on-line and the high mass O 2 -bridged bicyclic compounds in the particle phase are directly observed and determined, with the aid of the deuterated 1,3,5-TMB experiments to confirm the species' assignment. To illuminate the formation of the O 2 -bridged bicyclic compounds, the potential energy surfaces of the reaction of the bicyclic peroxy radical (BPR) with the hydroperoxy radical (HO 2), and of the self-reaction of the BPR radical, have been theoretically calculated and then their reaction mechanisms are discussed in detail. This study provides direct evidence to support the essential role of the O 2 -bridged bicyclic compounds in the particle formation from the OH initiated oxidation of 1,3,5- TMB. • OH-initiated oxidation of 1,3,5-TMB studied with photoionization mass spectrometry. • The O 2 -bridged bicyclic products directly observed in the particle phase. • Deuterated experiments to confirm the products' assignment in the mass spectra. • Theoretical calculations to illuminate reaction mechanisms of the BPR radical. [ABSTRACT FROM AUTHOR] |
| Databáze: |
GreenFILE |
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Full Text from ScienceDirect