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Kinetic and Products Study of the Atmospheric Degradation of trans-2-Hexenal with Cl Atoms

[Image: see text] The gas-phase reaction between trans-2-hexenal (T2H) and chlorine atoms (Cl) was studied using three complementary experimental setups at atmospheric pressure and room temperature. In this work, we studied the rate constant for the titled oxidation reaction as well as the formation...

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Autores principales: Grira, Asma, Antiñolo, María, Canosa, André, Tomas, Alexandre, El Dib, Gisèle, Jiménez, Elena
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9549468/
https://www.ncbi.nlm.nih.gov/pubmed/36166752
http://dx.doi.org/10.1021/acs.jpca.2c05060
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author Grira, Asma
Antiñolo, María
Canosa, André
Tomas, Alexandre
El Dib, Gisèle
Jiménez, Elena
author_facet Grira, Asma
Antiñolo, María
Canosa, André
Tomas, Alexandre
El Dib, Gisèle
Jiménez, Elena
author_sort Grira, Asma
collection PubMed
description [Image: see text] The gas-phase reaction between trans-2-hexenal (T2H) and chlorine atoms (Cl) was studied using three complementary experimental setups at atmospheric pressure and room temperature. In this work, we studied the rate constant for the titled oxidation reaction as well as the formation of the gas-phase products and secondary organic aerosols (SOAs). The rate constant of the T2H + Cl reaction was determined using the relative method in a simulation chamber using proton-transfer reaction time-of-flight mass spectrometry (PTR-ToF-MS) to monitor the loss of T2H and the reference compound. An average reaction rate constant of (3.17 ± 0.72) × 10(–10) cm(3) molecule(–1) s(–1) was obtained. From this, the atmospheric lifetime of T2H due to Cl reaction was estimated to be 9 h for coastal regions. HCl, CO, and butanal were identified as primary products using Fourier transform infrared spectroscopy (FTIR). The molar yield of butanal was (6.4 ± 0.3)%. Formic acid was identified as a secondary product by FTIR. In addition, butanal, 2-chlorohexenal, and 2-hexenoic acid were identified as products by gas chromatography coupled to mass spectrometry but not quantified. A reaction mechanism is proposed based on the observed products. SOA formation was observed by using a fast mobility particle sizer spectrometer. The measured SOA yields reached maximum values of about 38% at high particle mass concentrations. This work exhibits for the first time that T2H can be a source of SOA in coastal atmospheres, where Cl concentrations can be high at dawn, or in industrial areas, such as ceramic industries, where Cl precursors may be present.
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spelling pubmed-95494682022-10-11 Kinetic and Products Study of the Atmospheric Degradation of trans-2-Hexenal with Cl Atoms Grira, Asma Antiñolo, María Canosa, André Tomas, Alexandre El Dib, Gisèle Jiménez, Elena J Phys Chem A [Image: see text] The gas-phase reaction between trans-2-hexenal (T2H) and chlorine atoms (Cl) was studied using three complementary experimental setups at atmospheric pressure and room temperature. In this work, we studied the rate constant for the titled oxidation reaction as well as the formation of the gas-phase products and secondary organic aerosols (SOAs). The rate constant of the T2H + Cl reaction was determined using the relative method in a simulation chamber using proton-transfer reaction time-of-flight mass spectrometry (PTR-ToF-MS) to monitor the loss of T2H and the reference compound. An average reaction rate constant of (3.17 ± 0.72) × 10(–10) cm(3) molecule(–1) s(–1) was obtained. From this, the atmospheric lifetime of T2H due to Cl reaction was estimated to be 9 h for coastal regions. HCl, CO, and butanal were identified as primary products using Fourier transform infrared spectroscopy (FTIR). The molar yield of butanal was (6.4 ± 0.3)%. Formic acid was identified as a secondary product by FTIR. In addition, butanal, 2-chlorohexenal, and 2-hexenoic acid were identified as products by gas chromatography coupled to mass spectrometry but not quantified. A reaction mechanism is proposed based on the observed products. SOA formation was observed by using a fast mobility particle sizer spectrometer. The measured SOA yields reached maximum values of about 38% at high particle mass concentrations. This work exhibits for the first time that T2H can be a source of SOA in coastal atmospheres, where Cl concentrations can be high at dawn, or in industrial areas, such as ceramic industries, where Cl precursors may be present. American Chemical Society 2022-09-27 2022-10-06 /pmc/articles/PMC9549468/ /pubmed/36166752 http://dx.doi.org/10.1021/acs.jpca.2c05060 Text en © 2022 American Chemical Society https://creativecommons.org/licenses/by/4.0/Permits the broadest form of re-use including for commercial purposes, provided that author attribution and integrity are maintained (https://creativecommons.org/licenses/by/4.0/).
spellingShingle Grira, Asma
Antiñolo, María
Canosa, André
Tomas, Alexandre
El Dib, Gisèle
Jiménez, Elena
Kinetic and Products Study of the Atmospheric Degradation of trans-2-Hexenal with Cl Atoms
title Kinetic and Products Study of the Atmospheric Degradation of trans-2-Hexenal with Cl Atoms
title_full Kinetic and Products Study of the Atmospheric Degradation of trans-2-Hexenal with Cl Atoms
title_fullStr Kinetic and Products Study of the Atmospheric Degradation of trans-2-Hexenal with Cl Atoms
title_full_unstemmed Kinetic and Products Study of the Atmospheric Degradation of trans-2-Hexenal with Cl Atoms
title_short Kinetic and Products Study of the Atmospheric Degradation of trans-2-Hexenal with Cl Atoms
title_sort kinetic and products study of the atmospheric degradation of trans-2-hexenal with cl atoms
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9549468/
https://www.ncbi.nlm.nih.gov/pubmed/36166752
http://dx.doi.org/10.1021/acs.jpca.2c05060
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