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Environ Sci Technol

Title:		Highly Oxygenated Organic Nitrates Formed from NO(3) Radical-Initiated Oxidation of beta-Pinene
Author(s):		Shen H; Zhao D; Pullinen I; Kang S; Vereecken L; Fuchs H; Acir IH; Tillmann R; Rohrer F; Wildt J; Kiendler-Scharr A; Wahner A; Mentel TF;
Address:		"Department of Atmospheric and Oceanic Sciences & Institute of Atmospheric Sciences, Fudan University, Shanghai 200438, China. Institute of Energy and Climate Research, IEK-8: Troposphere, Forschungszentrum Julich, Julich 52425, Germany. Big Data Institute for Carbon Emission and Environmental Pollution, Fudan University, Shanghai 200438, China. Institute of Eco-Chongming (IEC), 20 Cuiniao Road, Chenjia Zhen, Chongming, Shanghai 202162, China"
Journal Title:		Environ Sci Technol
Year:		2021
Volume:		20211122
Issue:		23
Page Number:		15658 - 15671
DOI:		10.1021/acs.est.1c03978
ISSN/ISBN:		1520-5851 (Electronic) 0013-936X (Linking)
Abstract:		"The reactions of biogenic volatile organic compounds (BVOC) with the nitrate radicals (NO(3)) are major night-time sources of organic nitrates and secondary organic aerosols (SOA) in regions influenced by BVOC and anthropogenic emissions. In this study, the formation of gas-phase highly oxygenated organic molecules-organic nitrates (HOM-ON) from NO(3)-initiated oxidation of a representative monoterpene, beta-pinene, was investigated in the SAPHIR chamber (Simulation of Atmosphere PHotochemistry In a large Reaction chamber). Six monomer (C = 7-10, N = 1-2, O = 6-16) and five accretion product (C = 17-20, N = 2-4, O = 9-22) families were identified and further classified into first- or second-generation products based on their temporal behavior. The time lag observed in the peak concentrations between peroxy radicals containing odd and even number of oxygen atoms, as well as between radicals and their corresponding termination products, provided constraints on the HOM-ON formation mechanism. The HOM-ON formation can be explained by unimolecular or bimolecular reactions of peroxy radicals. A dominant portion of carbonylnitrates in HOM-ON was detected, highlighting the significance of unimolecular termination reactions by intramolecular H-shift for the formation of HOM-ON. A mean molar yield of HOM-ON was estimated to be 4.8% (-2.6%/+5.6%), suggesting significant HOM-ON contributions to the SOA formation"
Keywords:		Aerosols *Air Pollutants/analysis Bicyclic Monoterpenes Humans *Nitrates NO3 radical anthropogenic-biogenic interaction biogenic volatile organic compounds night-time oxidation organic nitrate secondary organic aerosol;
Notes:		"MedlineShen, Hongru Zhao, Defeng Pullinen, Iida Kang, Sungah Vereecken, Luc Fuchs, Hendrik Acir, Ismail-Hakki Tillmann, Ralf Rohrer, Franz Wildt, Jurgen Kiendler-Scharr, Astrid Wahner, Andreas Mentel, Thomas F eng Research Support, Non-U.S. Gov't 2021/11/23 Environ Sci Technol. 2021 Dec 7; 55(23):15658-15671. doi: 10.1021/acs.est.1c03978. Epub 2021 Nov 22"