Atmospheric chemistry of (Z)- and (E)-1,2-dichloroethene: Kinetics and mechanisms of the reactions with Cl atoms, OH radicals, and O3

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Standard

Atmospheric chemistry of (Z)- and (E)-1,2-dichloroethene : Kinetics and mechanisms of the reactions with Cl atoms, OH radicals, and O3. / Andersen, Mads P.Sulbaek; Volkova, Aleksandra; Hass, Sofie A.; Lengkong, Jonathan W.; Hovanessian, Dvien; Sølling, Theis I.; Wallington, Timothy J.; Nielsen, Ole J.

I: Physical Chemistry Chemical Physics, Bind 24, Nr. 12, 2022, s. 7356–7373.

Publikation: Bidrag til tidsskrift › Tidsskriftartikel › Forskning › fagfællebedømt

Harvard

Andersen, MPS, Volkova, A, Hass, SA, Lengkong, JW, Hovanessian, D, Sølling, TI, Wallington, TJ & Nielsen, OJ 2022, 'Atmospheric chemistry of (Z)- and (E)-1,2-dichloroethene: Kinetics and mechanisms of the reactions with Cl atoms, OH radicals, and O3', Physical Chemistry Chemical Physics, bind 24, nr. 12, s. 7356–7373. https://doi.org/10.1039/d1cp04877e

APA

Andersen, M. P. S., Volkova, A., Hass, S. A., Lengkong, J. W., Hovanessian, D., Sølling, T. I., Wallington, T. J., & Nielsen, O. J. (2022). Atmospheric chemistry of (Z)- and (E)-1,2-dichloroethene: Kinetics and mechanisms of the reactions with Cl atoms, OH radicals, and O3. Physical Chemistry Chemical Physics, 24(12), 7356–7373. https://doi.org/10.1039/d1cp04877e

Vancouver

Andersen MPS, Volkova A, Hass SA, Lengkong JW, Hovanessian D, Sølling TI o.a. Atmospheric chemistry of (Z)- and (E)-1,2-dichloroethene: Kinetics and mechanisms of the reactions with Cl atoms, OH radicals, and O3. Physical Chemistry Chemical Physics. 2022;24(12):7356–7373. https://doi.org/10.1039/d1cp04877e

Author

Andersen, Mads P.Sulbaek ; Volkova, Aleksandra ; Hass, Sofie A. ; Lengkong, Jonathan W. ; Hovanessian, Dvien ; Sølling, Theis I. ; Wallington, Timothy J. ; Nielsen, Ole J. / Atmospheric chemistry of (Z)- and (E)-1,2-dichloroethene : Kinetics and mechanisms of the reactions with Cl atoms, OH radicals, and O3. I: Physical Chemistry Chemical Physics. 2022 ; Bind 24, Nr. 12. s. 7356–7373.

Bibtex

@article{57b7514e34214027953576ff3bb90940,
title = "Atmospheric chemistry of (Z)- and (E)-1,2-dichloroethene: Kinetics and mechanisms of the reactions with Cl atoms, OH radicals, and O3",
abstract = "Smog chambers interfaced with in situ FT-IR detection were used to investigate the kinetics and mechanisms of the Cl atom, OH radical, and O3 initiated oxidation of (Z)- and (E)-1,2-dichloroethene (CHCl=CHCl) under atmospheric conditions. Relative and absolute rate methods were used to measure k(Cl + (Z)-CHClCHCl) = (8.80 ± 1.75) × 10-11, k(Cl + (E)-CHClCHCl) = (8.51 ± 1.69) × 10-11, k(OH + (Z)-CHClCHCl) = (2.02 ± 0.43) × 10-12, k(OH + (E)-CHClCHCl) = (1.94 ± 0.43) × 10-12, k(O3 + (Z)-CHClCHCl) = (4.50 ± 0.45) × 10-21, and k(O3 + (E)-CHClCHCl) = (1.02 ± 0.10) × 10-19 cm3 molecule-1 s-1 in 700 Torr of N2/air diluent at 298 ± 2 K. Pressure dependencies for the Cl atom reaction kinetics were observed for both isomers, consistent with isomerization occurring via Cl atom elimination from the chemically activated CHCl-CHCl-Cl adduct. The observed products from Cl initiated oxidation were HC(O)Cl (117-133%), CHCl2CHO (29-30%), and the corresponding CHClCHCl isomer (11-20%). OH radical initiated oxidation gives HC(O)Cl as a major product. For reaction of OH with (E)-CHClCHCl, (Z)-CHClCHCl was also observed as a product. A significant chlorine atom elimination channel was observed experimentally (HCl yield) and supported by computational results. Photochemical ozone creation potentials of 12 and 11 were estimated for (Z)- and (E)-CHClCHCl, respectively. Finally, an empirical kinetic relationship is explored for the addition of OH radicals or Cl atoms to small alkenes. The results are discussed in the context of the atmospheric chemistry of (Z)- and (E)-CHClCHCl. ",
author = "Andersen, {Mads P.Sulbaek} and Aleksandra Volkova and Hass, {Sofie A.} and Lengkong, {Jonathan W.} and Dvien Hovanessian and S{\o}lling, {Theis I.} and Wallington, {Timothy J.} and Nielsen, {Ole J.}",
note = "Publisher Copyright: {\textcopyright} 2022 The Royal Society of Chemistry.",
year = "2022",
doi = "10.1039/d1cp04877e",
language = "English",
volume = "24",
pages = "7356–7373",
journal = "Physical Chemistry Chemical Physics",
issn = "1463-9076",
publisher = "Royal Society of Chemistry",
number = "12",

}

RIS

TY - JOUR

T1 - Atmospheric chemistry of (Z)- and (E)-1,2-dichloroethene

T2 - Kinetics and mechanisms of the reactions with Cl atoms, OH radicals, and O3

AU - Andersen, Mads P.Sulbaek

AU - Volkova, Aleksandra

AU - Hass, Sofie A.

AU - Lengkong, Jonathan W.

AU - Hovanessian, Dvien

AU - Sølling, Theis I.

AU - Wallington, Timothy J.

AU - Nielsen, Ole J.

N1 - Publisher Copyright: © 2022 The Royal Society of Chemistry.

PY - 2022

Y1 - 2022

N2 - Smog chambers interfaced with in situ FT-IR detection were used to investigate the kinetics and mechanisms of the Cl atom, OH radical, and O3 initiated oxidation of (Z)- and (E)-1,2-dichloroethene (CHCl=CHCl) under atmospheric conditions. Relative and absolute rate methods were used to measure k(Cl + (Z)-CHClCHCl) = (8.80 ± 1.75) × 10-11, k(Cl + (E)-CHClCHCl) = (8.51 ± 1.69) × 10-11, k(OH + (Z)-CHClCHCl) = (2.02 ± 0.43) × 10-12, k(OH + (E)-CHClCHCl) = (1.94 ± 0.43) × 10-12, k(O3 + (Z)-CHClCHCl) = (4.50 ± 0.45) × 10-21, and k(O3 + (E)-CHClCHCl) = (1.02 ± 0.10) × 10-19 cm3 molecule-1 s-1 in 700 Torr of N2/air diluent at 298 ± 2 K. Pressure dependencies for the Cl atom reaction kinetics were observed for both isomers, consistent with isomerization occurring via Cl atom elimination from the chemically activated CHCl-CHCl-Cl adduct. The observed products from Cl initiated oxidation were HC(O)Cl (117-133%), CHCl2CHO (29-30%), and the corresponding CHClCHCl isomer (11-20%). OH radical initiated oxidation gives HC(O)Cl as a major product. For reaction of OH with (E)-CHClCHCl, (Z)-CHClCHCl was also observed as a product. A significant chlorine atom elimination channel was observed experimentally (HCl yield) and supported by computational results. Photochemical ozone creation potentials of 12 and 11 were estimated for (Z)- and (E)-CHClCHCl, respectively. Finally, an empirical kinetic relationship is explored for the addition of OH radicals or Cl atoms to small alkenes. The results are discussed in the context of the atmospheric chemistry of (Z)- and (E)-CHClCHCl.

AB - Smog chambers interfaced with in situ FT-IR detection were used to investigate the kinetics and mechanisms of the Cl atom, OH radical, and O3 initiated oxidation of (Z)- and (E)-1,2-dichloroethene (CHCl=CHCl) under atmospheric conditions. Relative and absolute rate methods were used to measure k(Cl + (Z)-CHClCHCl) = (8.80 ± 1.75) × 10-11, k(Cl + (E)-CHClCHCl) = (8.51 ± 1.69) × 10-11, k(OH + (Z)-CHClCHCl) = (2.02 ± 0.43) × 10-12, k(OH + (E)-CHClCHCl) = (1.94 ± 0.43) × 10-12, k(O3 + (Z)-CHClCHCl) = (4.50 ± 0.45) × 10-21, and k(O3 + (E)-CHClCHCl) = (1.02 ± 0.10) × 10-19 cm3 molecule-1 s-1 in 700 Torr of N2/air diluent at 298 ± 2 K. Pressure dependencies for the Cl atom reaction kinetics were observed for both isomers, consistent with isomerization occurring via Cl atom elimination from the chemically activated CHCl-CHCl-Cl adduct. The observed products from Cl initiated oxidation were HC(O)Cl (117-133%), CHCl2CHO (29-30%), and the corresponding CHClCHCl isomer (11-20%). OH radical initiated oxidation gives HC(O)Cl as a major product. For reaction of OH with (E)-CHClCHCl, (Z)-CHClCHCl was also observed as a product. A significant chlorine atom elimination channel was observed experimentally (HCl yield) and supported by computational results. Photochemical ozone creation potentials of 12 and 11 were estimated for (Z)- and (E)-CHClCHCl, respectively. Finally, an empirical kinetic relationship is explored for the addition of OH radicals or Cl atoms to small alkenes. The results are discussed in the context of the atmospheric chemistry of (Z)- and (E)-CHClCHCl.

U2 - 10.1039/d1cp04877e

DO - 10.1039/d1cp04877e

M3 - Journal article

C2 - 35266471

AN - SCOPUS:85127134923

VL - 24

SP - 7356

EP - 7373

JO - Physical Chemistry Chemical Physics

JF - Physical Chemistry Chemical Physics

SN - 1463-9076

IS - 12

ER -

ID: 302837940