Atmospheric Fate of Nitramines: An Experimental and Theoretical Study of the OH Reactions with CH3NHNO2 and (CH3)2NNO2

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• 作者：Mihayo Musabila Maguta ; Marius Aursnes ; Arne Joakim Coldevin Bunkan ; Katie Edelen ; Tom谩拧 Mikoviny ; Claus J酶rgen Nielsen ; Yngve Stenstr酶m ; Yizhen Tang ; Armin Wisthaler
• 刊名：Journal of Physical Chemistry A
• 出版年：2014
• 出版时间：May 15, 2014
• 年：2014
• 卷：118
• 期：19
• 页码：3450-3462
• 全文大小：663K
• 年卷期：v.118,no.19(May 15, 2014)
• ISSN：1520-5215

文摘

The rates of CH₃NHNO₂ and (CH₃)₂NNO₂ reaction with OH radicals were determined relative to CH₃OCH₃ and CH₃OH at 298 卤 2 K and 1013 卤 10 hPa in purified air by long path FTIR spectroscopy, and the rate coefficients were determined to be k_OH+CH3NHNO2 = (9.5 卤 1.9) 脳 10^鈥?3 and k_{OH+(CH3)2NNO2} = (3.5 卤 0.7) 脳 10^鈥?2 (2蟽) cm³ molecule^鈥? s^鈥?. Ozone was found to react very slowly with the two nitramines, k_O3+nitramine < 10^鈥?1 cm³ molecule^鈥? s^鈥?. Product formation in the photo-oxidation of CH₃NHNO₂ and (CH₃)₂NNO₂ was studied by FTIR, PTR-ToF-MS, and quantum chemistry calculations; the major products in the OH-initiated degradation are the corresponding imines, CH₂鈺怤H and CH₃N鈺怌H₂, and N-nitro amides, CHONHNO₂ and CHON(CH₃)NO₂. Atmospheric degradation mechanisms are presented.