Atmospheric chemistry of 1,1-difluoroacetone, CHF2C(O)CH3: Kinetics, products and mechanisms of the Cl atom and OH radical initiated oxidation

M. P. Sulbaek Andersen; J. E. Borcher; C. Blair; A. Robles; O. J. Nielsen

doi:10.1016/j.cplett.2023.140832

Atmospheric chemistry of 1,1-difluoroacetone, CHF₂C(O)CH₃: Kinetics, products and mechanisms of the Cl atom and OH radical initiated oxidation

M. P. Sulbaek Andersen^*, J. E. Borcher, C. Blair, A. Robles, O. J. Nielsen

^*Corresponding author for this work

Department of Chemistry

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Abstract

Smog chamber techniques were used to study the Cl atom and OH radical initiated oxidation of 1,1-difluoroacetone (CF₂HC(O)CH₃) in 700 Torr of air or N₂ diluent at 297 K. Using relative rate methods k(Cl + CF₂HC(O)CH₃) = (5.0 ± 0.8) × 10⁻¹⁴ cm³ molecule^-1 s⁻¹ and k(OH + CF₂HC(O)CH₃) = (2.6 ± 0.7) × 10⁻¹⁴ cm³molecule^-1s⁻¹ were determined. The atmospheric lifetime of CF₂HC(O)CH₃ with respect to reaction with OH radicals is estimated at 1.2 years. Atmospheric oxidation yields COF₂, CO and CO₂. The data suggests that Cl atoms primarily attack the –CF₂H group, whereas OH radicals also attack the –CH₃ group.

Original language	English
Article number	140832
Journal	Chemical Physics Letters
Volume	830
Number of pages	7
ISSN	0009-2614
DOIs	https://doi.org/10.1016/j.cplett.2023.140832
Publication status	Published - 2023

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@article{8acb1a8e26fa4210b358e42d39278584,

title = "Atmospheric chemistry of 1,1-difluoroacetone, CHF2C(O)CH3: Kinetics, products and mechanisms of the Cl atom and OH radical initiated oxidation",

abstract = "Smog chamber techniques were used to study the Cl atom and OH radical initiated oxidation of 1,1-difluoroacetone (CF2HC(O)CH3) in 700 Torr of air or N2 diluent at 297 K. Using relative rate methods k(Cl + CF2HC(O)CH3) = (5.0 ± 0.8) × 10−14 cm3 molecule-1 s−1 and k(OH + CF2HC(O)CH3) = (2.6 ± 0.7) × 10−14 cm3molecule-1s−1 were determined. The atmospheric lifetime of CF2HC(O)CH3 with respect to reaction with OH radicals is estimated at 1.2 years. Atmospheric oxidation yields COF2, CO and CO2. The data suggests that Cl atoms primarily attack the –CF2H group, whereas OH radicals also attack the –CH3 group.",

author = "{Sulbaek Andersen}, {M. P.} and Borcher, {J. E.} and C. Blair and A. Robles and Nielsen, {O. J.}",

note = "Publisher Copyright: {\textcopyright} 2023",

year = "2023",

doi = "10.1016/j.cplett.2023.140832",

language = "English",

volume = "830",

journal = "Chemical Physics Letters",

issn = "0009-2614",

publisher = "Elsevier",

}

TY - JOUR

T1 - Atmospheric chemistry of 1,1-difluoroacetone, CHF2C(O)CH3

T2 - Kinetics, products and mechanisms of the Cl atom and OH radical initiated oxidation

AU - Sulbaek Andersen, M. P.

AU - Borcher, J. E.

AU - Blair, C.

AU - Robles, A.

AU - Nielsen, O. J.

PY - 2023

Y1 - 2023

N2 - Smog chamber techniques were used to study the Cl atom and OH radical initiated oxidation of 1,1-difluoroacetone (CF2HC(O)CH3) in 700 Torr of air or N2 diluent at 297 K. Using relative rate methods k(Cl + CF2HC(O)CH3) = (5.0 ± 0.8) × 10−14 cm3 molecule-1 s−1 and k(OH + CF2HC(O)CH3) = (2.6 ± 0.7) × 10−14 cm3molecule-1s−1 were determined. The atmospheric lifetime of CF2HC(O)CH3 with respect to reaction with OH radicals is estimated at 1.2 years. Atmospheric oxidation yields COF2, CO and CO2. The data suggests that Cl atoms primarily attack the –CF2H group, whereas OH radicals also attack the –CH3 group.

AB - Smog chamber techniques were used to study the Cl atom and OH radical initiated oxidation of 1,1-difluoroacetone (CF2HC(O)CH3) in 700 Torr of air or N2 diluent at 297 K. Using relative rate methods k(Cl + CF2HC(O)CH3) = (5.0 ± 0.8) × 10−14 cm3 molecule-1 s−1 and k(OH + CF2HC(O)CH3) = (2.6 ± 0.7) × 10−14 cm3molecule-1s−1 were determined. The atmospheric lifetime of CF2HC(O)CH3 with respect to reaction with OH radicals is estimated at 1.2 years. Atmospheric oxidation yields COF2, CO and CO2. The data suggests that Cl atoms primarily attack the –CF2H group, whereas OH radicals also attack the –CH3 group.

U2 - 10.1016/j.cplett.2023.140832

DO - 10.1016/j.cplett.2023.140832

M3 - Journal article

AN - SCOPUS:85171391931

VL - 830

JO - Chemical Physics Letters

JF - Chemical Physics Letters

SN - 0009-2614

M1 - 140832

ER -