Tan, Jun-Wen, Zhu, Liang, Mikoviny, Tomáš et al. (11 more authors) (2018) Theoretical and Experimental Study on the Reaction of tert-Butylamine with OH Radicals in the Atmosphere. Journal of Physical Chemistry A. pp. 4470-4480. ISSN 1089-5639
Abstract
The OH-initiated atmospheric degradation of tert-butylamine (tBA), (CH3)3CNH2, was investigated in a detailed quantum chemistry study and in laboratory experiments at the European Photoreactor (EUPHORE) in Spain. The reaction was found to mainly proceed via hydrogen abstraction from the amino group, which in the presence of nitrogen oxides (NOx), generates tert-butylnitramine, (CH3)3CNHNO2, and acetone as the main reaction products. Acetone is formed via the reaction of tert-butylnitrosamine, (CH3)3CNHNO, and/or its isomer tert-butylhydroxydiazene, (CH3)3CN=NOH, with OH radicals, which yield nitrous oxide (N2O) and the (CH3)3Ċ radical. The latter is converted to acetone and formaldehyde. Minor predicted and observed reaction products include formaldehyde, 2-methylpropene, acetamide and propan-2-imine. The reaction in the EUPHORE chamber was accompanied by strong particle formation which was induced by an acid-base reaction between photochemically formed nitric acid and the reagent amine. The tert-butylaminium nitrate salt was found to be of low volatility, with a vapor pressure of 5.1 × 10-6 Pa at 298 K. The rate of reaction between tert-butylamine and OH radicals was measured to be 8.4 (±1.7) × 10-12 cm3 molecule-1 s-1 at 305 ± 2 K and 1015 ± 1 hPa.
Metadata
Item Type: | Article |
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Authors/Creators: |
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Copyright, Publisher and Additional Information: | © 2018 American Chemical Society. This is an author-produced version of the published paper. Uploaded in accordance with the publisher’s self-archiving policy. Further copying may not be permitted; contact the publisher for details |
Dates: |
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Institution: | The University of York |
Academic Units: | The University of York The University of York > Faculty of Sciences (York) > Chemistry (York) |
Funding Information: | Funder Grant number NATURAL ENVIRONMENT RESEARCH COUNCIL NE/F01905X/1 |
Depositing User: | Pure (York) |
Date Deposited: | 31 May 2018 11:00 |
Last Modified: | 10 Nov 2024 01:21 |
Published Version: | https://doi.org/10.1021/acs.jpca.8b01862 |
Status: | Published |
Refereed: | Yes |
Identification Number: | 10.1021/acs.jpca.8b01862 |
Related URLs: | |
Open Archives Initiative ID (OAI ID): | oai:eprints.whiterose.ac.uk:131537 |
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Description: Theoretical and Experimental Study on the Reaction of tert-Butylamine with OH Radicals in the Atmosphere