Gas-Phase Reaction of <i>trans</i>-2-Methyl-2-butenal with Cl: Kinetics, Gaseous Products, and SOA Formation
The gas-phase reaction between <i>trans</i>-2-methyl-2-butenal and chlorine (Cl) atoms has been studied in a simulation chamber at 298 ± 2 K and 760 ± 5 Torr of air under free-NO<sub>x</sub> conditions. The rate coefficient of this reaction was determined as <i>k</i&...
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MDPI AG
2020-07-01
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| Series: | Atmosphere |
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| Online Access: | https://www.mdpi.com/2073-4433/11/7/715 |
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| author | María Antiñolo María Asensio José Albaladejo Elena Jiménez |
| author_facet | María Antiñolo María Asensio José Albaladejo Elena Jiménez |
| author_sort | María Antiñolo |
| collection | DOAJ |
| description | The gas-phase reaction between <i>trans</i>-2-methyl-2-butenal and chlorine (Cl) atoms has been studied in a simulation chamber at 298 ± 2 K and 760 ± 5 Torr of air under free-NO<sub>x</sub> conditions. The rate coefficient of this reaction was determined as <i>k</i> = (2.45 ± 0.32) × 10<sup>−10</sup> cm<sup>3</sup> molecule<sup>−1</sup> s<sup>−1</sup> by using a relative method and Fourier transform infrared spectroscopy. In addition to this technique, gas chromatography coupled to mass spectrometry and proton transfer time-of-flight mass spectrometry were used to detect and monitor the time evolution of the gas-phase reaction products. The major primary reaction product from the addition of Cl to the C-3 of <i>trans</i>-2-methyl-2-butenal was 3-chloro-2-butanone, with a molar yield (Y<sub>Prod</sub>) of (52.5 ± 7.3)%. Acetaldehyde (Y = (40.8 ± 0.6)%) and HCl were also identified, indicating that the H-abstraction by Cl from the aldehyde group is a reaction pathway as well. Secondary organic aerosol (SOA) formation was investigated by using a fast mobility particle sizer spectrometer. The SOA yield in the Cl + <i>trans</i>-2-methyl-2-butenal reaction is reported to be lower than 2.4%, thus its impact can be considered negligible. The atmospheric importance of the titled reaction is similar to the corresponding OH reaction in areas with high Cl concentration. |
| first_indexed | 2024-03-10T18:40:14Z |
| format | Article |
| id | doaj.art-092c7e43495d41b08b5221ea23ad9674 |
| institution | Directory Open Access Journal |
| issn | 2073-4433 |
| language | English |
| last_indexed | 2024-03-10T18:40:14Z |
| publishDate | 2020-07-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Atmosphere |
| spelling | doaj.art-092c7e43495d41b08b5221ea23ad96742023-11-20T05:53:36ZengMDPI AGAtmosphere2073-44332020-07-0111771510.3390/atmos11070715Gas-Phase Reaction of <i>trans</i>-2-Methyl-2-butenal with Cl: Kinetics, Gaseous Products, and SOA FormationMaría Antiñolo0María Asensio1José Albaladejo2Elena Jiménez3Instituto de Investigación en Combustión y Contaminación Atmosférica, Universidad de Castilla-La Mancha, Camino de Moledores s/n, 13071 Ciudad Real, SpainDepartamento de Química Física, Universidad de Castilla-La Mancha, Avda, Camilo José Cela 1B, 13071 Ciudad Real, SpainInstituto de Investigación en Combustión y Contaminación Atmosférica, Universidad de Castilla-La Mancha, Camino de Moledores s/n, 13071 Ciudad Real, SpainInstituto de Investigación en Combustión y Contaminación Atmosférica, Universidad de Castilla-La Mancha, Camino de Moledores s/n, 13071 Ciudad Real, SpainThe gas-phase reaction between <i>trans</i>-2-methyl-2-butenal and chlorine (Cl) atoms has been studied in a simulation chamber at 298 ± 2 K and 760 ± 5 Torr of air under free-NO<sub>x</sub> conditions. The rate coefficient of this reaction was determined as <i>k</i> = (2.45 ± 0.32) × 10<sup>−10</sup> cm<sup>3</sup> molecule<sup>−1</sup> s<sup>−1</sup> by using a relative method and Fourier transform infrared spectroscopy. In addition to this technique, gas chromatography coupled to mass spectrometry and proton transfer time-of-flight mass spectrometry were used to detect and monitor the time evolution of the gas-phase reaction products. The major primary reaction product from the addition of Cl to the C-3 of <i>trans</i>-2-methyl-2-butenal was 3-chloro-2-butanone, with a molar yield (Y<sub>Prod</sub>) of (52.5 ± 7.3)%. Acetaldehyde (Y = (40.8 ± 0.6)%) and HCl were also identified, indicating that the H-abstraction by Cl from the aldehyde group is a reaction pathway as well. Secondary organic aerosol (SOA) formation was investigated by using a fast mobility particle sizer spectrometer. The SOA yield in the Cl + <i>trans</i>-2-methyl-2-butenal reaction is reported to be lower than 2.4%, thus its impact can be considered negligible. The atmospheric importance of the titled reaction is similar to the corresponding OH reaction in areas with high Cl concentration.https://www.mdpi.com/2073-4433/11/7/715Cl atombranched unsaturated aldehydekineticsgas-phase productssecondary organic aerosol (SOA) |
| spellingShingle | María Antiñolo María Asensio José Albaladejo Elena Jiménez Gas-Phase Reaction of <i>trans</i>-2-Methyl-2-butenal with Cl: Kinetics, Gaseous Products, and SOA Formation Atmosphere Cl atom branched unsaturated aldehyde kinetics gas-phase products secondary organic aerosol (SOA) |
| title | Gas-Phase Reaction of <i>trans</i>-2-Methyl-2-butenal with Cl: Kinetics, Gaseous Products, and SOA Formation |
| title_full | Gas-Phase Reaction of <i>trans</i>-2-Methyl-2-butenal with Cl: Kinetics, Gaseous Products, and SOA Formation |
| title_fullStr | Gas-Phase Reaction of <i>trans</i>-2-Methyl-2-butenal with Cl: Kinetics, Gaseous Products, and SOA Formation |
| title_full_unstemmed | Gas-Phase Reaction of <i>trans</i>-2-Methyl-2-butenal with Cl: Kinetics, Gaseous Products, and SOA Formation |
| title_short | Gas-Phase Reaction of <i>trans</i>-2-Methyl-2-butenal with Cl: Kinetics, Gaseous Products, and SOA Formation |
| title_sort | gas phase reaction of i trans i 2 methyl 2 butenal with cl kinetics gaseous products and soa formation |
| topic | Cl atom branched unsaturated aldehyde kinetics gas-phase products secondary organic aerosol (SOA) |
| url | https://www.mdpi.com/2073-4433/11/7/715 |
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