Products and mechanisms of the reactions of the nitrate radical (NO3) with isoprene, 1,3-butadiene and 2,3-dimethyl-1,3-butadiene in air |
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| Institution: | 1. Shanghai Key Laboratory of Atmospheric Particle Pollution and Prevention, Department of Environmental Science & Engineering, Institute of Atmospheric Sciences, Fudan University, Shanghai 200433, China;2. Shanghai Institute of Pollution Control and Ecological Security, Shanghai 200092, China;3. Collaborative Innovation Center of Atmospheric Environment and Equipment Technology (CICAEET), Nanjing University of Information Science and Technology, Nanjing 210044, China;1. State Key Laboratory of Atmospheric Boundary Layer Physics and Atmospheric Chemistry (LAPC), Institute of Atmospheric Physics (IAP), Chinese Academy of Sciences, Beijing 100029, China;2. College of Earth Science, University of Chinese Academy of Sciences, Beijing 100049, China;3. Environment Research Institute, Shandong University, Ji''nan, Shandong, China;4. Shanghai Key Laboratory of Atmospheric Particle Pollution and Prevention, Department of Environmental Science and Engineering, Institute of Atmospheric Sciences, Fudan University, Shanghai 200433, China;5. Research Center for Eco-Environmental Sciences, Chinese Academy of Sciences, Beijing 100085, China;6. Ministry of Education Key Laboratory for Earth System Modeling, Department of Earth System Science, Tsinghua University, Beijing, China;7. Collaborative Innovation Center for Regional Environmental Quality, Beijing, China;8. State Key Laboratory of Water Environment Simulation, School of Environment, Beijing Normal University, Beijing 100875, China;9. Center for Excellence in Urban Atmospheric Environment, Institute of Urban Environment, Chinese Academy of Sciences, Xiamen 36102, China;10. International Center for Climate and Environment Sciences, Institute of Atmospheric Physics, Chinese Academy of Science, Beijing 100029, China;1. Research Center for Eco-Environmental Sciences, Chinese Academy of Sciences, Beijing 100085, China;2. Center for Excellence in Regional Atmospheric Environment, Institute of Urban Environment, Chinese Academy of Sciences, Xiamen 361021, China;3. University of Chinese Academy of Sciences, Beijing 100049, China;4. Shenyang Academy of Environmental Sciences, Shenyang 110167, China;5. Shenyang Environmental Monitoring Centre, Shenyang 110000, China;6. Chinese Research Academy of Environmental Sciences, Beijing 100012, China |
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| Abstract: | Products and mechanisms of the reaction of NO3 with isoprene have been studied under simulated atmospheric conditions with in situ FTIR spectroscopy as analytical technique. The study addressed also the reactions of NO3 with 1,3-butadiene and 2,3-dimethyl-1,3-butadiene as well as with the deuterated species 1,1,4,4-d4-1,3-butadiene, d6-1,3-butadiene and 4,4-d2-2-methyl-1,3-butadiene (d2-isoprene). The dienes examined apparently follow very similar reaction pathways. The decay of the intermediate peroxynitrates formed after the addition of NO3 to one of the methylene groups, leads to unsaturated ketone-nitrate, aldehyde-nitrate, alcohol-nitrate and perhaps also dinitrate species. The yield of unsubstituted carbonyl compounds was insignificant in the reactions of NO3 with 1,3-butadiene and isoprene. In the case of isoprene, NO3 reacts adding preferentially to the 1-position and 3-methyl-4-nitroxy-2-butenal appears to be the main product. 1,3-Butadiene predominantly reacts with NO3 via trans-1,4-addition and 1,2-addition while the cis-1,4-addition path is of minor importance. trans-4-Nitroxy-2-butenal and 1-nitroxy-3-buten-2-one were found as main products. Contrary to the daytime OH-initiated degradation of isoprene, the nighttime oxidation of isoprene by NO3 leads to formation of large quantities of organic nitrate compounds; this may have consequences for the tropospheric NOy budget as briefly discussed. |
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