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DOI	10.5194/acp-21-13537-2021
	Reactions of NO3 with aromatic aldehydes: Gas-phase kinetics and insights into the mechanism of the reaction
	Ren Y.; Zhou L.; Mellouki A.; Daele V.; Idir M.; Brown S.S.; Ruscic B.; Paton R.S.; McGillen M.R.; Ravishankara A.R.
发表日期	2021
ISSN	1680-7316
起始页码	13537
结束页码	13551
卷号	21 期号:17
英文摘要	Rate coefficients for the reaction of NO3 radicals with a series of aromatic aldehydes were measured in a 7300g L simulation chamber at ambient temperature and pressure by relative and absolute methods. The rate coefficients for benzaldehyde (BA), ortho-tolualdehyde (O-TA), meta-tolualdehyde (M-TA), para-tolualdehyde (P-TA), 2,4-dimethyl benzaldehyde (2,4-DMBA), 2,5-dimethyl benzaldehyde (2,5-DMBA) and 3,5-dimethyl benzaldehyde (3,5-DMBA) were k1Combining double low lineg 2.6g ±g 0.3, k2Combining double low lineg 8.7g ±g 0.8, k3Combining double low lineg 4.9g ±g 0.5, k4Combining double low lineg 4.9g ±g 0.4, k5Combining double low lineg 15.1g ±g 1.3, k6Combining double low lineg 12.8g ±g 1.2 and k7Combining double low lineg 6.2g ±g 0.6, respectively, in the units of 10-15g cm3g molec.-1g s-1 at 298g ±g 2g K. The rate coefficient k13 for the reaction of the NO3 radical with deuterated benzaldehyde (benzaldehyde-d1) was found to be half that of k1. The end product of the reaction in an excess of NO2 was measured to be C6H5C(O)O2NO2. Theoretical calculations of aldehydic bond energies and reaction pathways indicate that the NO3 radical reacts primarily with aromatic aldehydes through the abstraction of an aldehydic hydrogen atom. The atmospheric implications of the measured rate coefficients are briefly discussed. © Copyright:
语种	英语
scopus关键词	aldehyde; nitrate; radical; simulation; theoretical study
来源期刊	ATMOSPHERIC CHEMISTRY AND PHYSICS
文献类型	期刊论文
条目标识符	http://gcip.llas.ac.cn/handle/2XKMVOVA/246591
作者单位	Institut de Combustion Aerothermique, Reactivite et Environnement, Centre National de la Recherche Scientifique (ICARE-CNRS), CEDEX02 Orleans, 45071, France; Environment Research Institute, School of Environmental Science and Engineering, Shandong University, Qingdao, 266237, China; NOAA, Chemical Sciences Laboratory, Boulder, CO, United States; Department of Chemistry, University of Colorado, Boulder, CO, United States; Chemical Sciences and Engineering Division, Argonne National Laboratory, Lemont, IL 60439, United States; Department of Chemistry, Colorado State University, Fort Collins, CO, United States; Department of Atmospheric Science, Colorado State University, Fort Collins, CO, United States; Le Studium Institute for Advanced Studies, Orleans, France; College of Architecture and Environment, Sichuan University, Chengdu, 610065, China
推荐引用方式 GB/T 7714	Ren Y.,Zhou L.,Mellouki A.,et al. Reactions of NO3 with aromatic aldehydes: Gas-phase kinetics and insights into the mechanism of the reaction[J],2021,21(17).
APA	Ren Y..,Zhou L..,Mellouki A..,Daele V..,Idir M..,...&Ravishankara A.R..(2021).Reactions of NO3 with aromatic aldehydes: Gas-phase kinetics and insights into the mechanism of the reaction.ATMOSPHERIC CHEMISTRY AND PHYSICS,21(17).
MLA	Ren Y.,et al."Reactions of NO3 with aromatic aldehydes: Gas-phase kinetics and insights into the mechanism of the reaction".ATMOSPHERIC CHEMISTRY AND PHYSICS 21.17(2021).