Atmospheric Chemistry of CH3OCF2CHF2

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Atmospheric Chemistry of CH3OCF2CHF2. / Kjærgaard, Eva R.; Vogt, Emil; Møller, Kristian H.; Nielsen, Ole John; Kjaergaard, Henrik G.

I: The Journal of Physical Chemistry Part A, Bind 125, Nr. 50, 14.12.2021, s. 10640−10648.

Publikation: Bidrag til tidsskrift › Tidsskriftartikel › Forskning › fagfællebedømt

Harvard

Kjærgaard, ER, Vogt, E, Møller, KH, Nielsen, OJ & Kjaergaard, HG 2021, 'Atmospheric Chemistry of CH3OCF2CHF2', The Journal of Physical Chemistry Part A, bind 125, nr. 50, s. 10640−10648. https://doi.org/10.1021/acs.jpca.1c08973

APA

Kjærgaard, E. R., Vogt, E., Møller, K. H., Nielsen, O. J., & Kjaergaard, H. G. (2021). Atmospheric Chemistry of CH3OCF2CHF2. The Journal of Physical Chemistry Part A, 125(50), 10640−10648. https://doi.org/10.1021/acs.jpca.1c08973

Vancouver

Kjærgaard ER, Vogt E, Møller KH, Nielsen OJ, Kjaergaard HG. Atmospheric Chemistry of CH3OCF2CHF2. The Journal of Physical Chemistry Part A. 2021 dec. 14;125(50):10640−10648. https://doi.org/10.1021/acs.jpca.1c08973

Author

Kjærgaard, Eva R. ; Vogt, Emil ; Møller, Kristian H. ; Nielsen, Ole John ; Kjaergaard, Henrik G. / Atmospheric Chemistry of CH3OCF2CHF2. I: The Journal of Physical Chemistry Part A. 2021 ; Bind 125, Nr. 50. s. 10640−10648.

Bibtex

@article{73af72a53f864b8784d01c922a4829c7,
title = "Atmospheric Chemistry of CH3OCF2CHF2",
abstract = "Fourier transform infrared spectroscopy has been used to follow the reaction of CH3OCF2CHF2 with either Cl or OH radicals within a photoreactor. Rate constants of k(OH + CH3OCF2CHF2) = (2.25 ± 0.60) × 10–14 cm3 molecule–1 s–1 and k(Cl + CH3OCF2CHF2) = (2.50 ± 0.39) × 10–13 cm3 molecule–1 s–1 were determined at 296 ± 2 K. Theoretical and experimental investigation of the Cl + CH3OCF2CHF2 reaction identified the formation of two main products, HC(O)OCF2CHF2 and COF2. Chlorine (and OH) radicals react with CH3OCF2CHF2 by H-abstraction from either the −CH3 or −CHF2 site. Abstraction from the −CH3 site was determined to constitute at least 60%, as determined from the formation of the primary product, HC(O)OCF2CHF2, which can only form from this abstraction site. At longer reaction times, HC(O)OCF2CHF2 further reacts and the yield of COF2 approaches two, the maximum possible with the number of F atoms in the reactant. The atmospheric lifetime of CH3OCF2CHF2 with OH radicals was determined to be 1.4 years. The global warming potentials over 20-, 100-, and 500-year time horizons were estimated to be 325, 88, and 25, respectively.",
author = "Kj{\ae}rgaard, {Eva R.} and Emil Vogt and M{\o}ller, {Kristian H.} and Nielsen, {Ole John} and Kjaergaard, {Henrik G.}",
note = "Correction: https://doi.org/10.1021/acs.jpca.3c03255",
year = "2021",
month = dec,
day = "14",
doi = "10.1021/acs.jpca.1c08973",
language = "English",
volume = "125",
pages = "10640−10648",
journal = "Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory",
issn = "1089-5639",
publisher = "American Chemical Society",
number = "50",

}

RIS

TY - JOUR

T1 - Atmospheric Chemistry of CH3OCF2CHF2

AU - Kjærgaard, Eva R.

AU - Vogt, Emil

AU - Møller, Kristian H.

AU - Nielsen, Ole John

AU - Kjaergaard, Henrik G.

N1 - Correction: https://doi.org/10.1021/acs.jpca.3c03255

PY - 2021/12/14

Y1 - 2021/12/14

N2 - Fourier transform infrared spectroscopy has been used to follow the reaction of CH3OCF2CHF2 with either Cl or OH radicals within a photoreactor. Rate constants of k(OH + CH3OCF2CHF2) = (2.25 ± 0.60) × 10–14 cm3 molecule–1 s–1 and k(Cl + CH3OCF2CHF2) = (2.50 ± 0.39) × 10–13 cm3 molecule–1 s–1 were determined at 296 ± 2 K. Theoretical and experimental investigation of the Cl + CH3OCF2CHF2 reaction identified the formation of two main products, HC(O)OCF2CHF2 and COF2. Chlorine (and OH) radicals react with CH3OCF2CHF2 by H-abstraction from either the −CH3 or −CHF2 site. Abstraction from the −CH3 site was determined to constitute at least 60%, as determined from the formation of the primary product, HC(O)OCF2CHF2, which can only form from this abstraction site. At longer reaction times, HC(O)OCF2CHF2 further reacts and the yield of COF2 approaches two, the maximum possible with the number of F atoms in the reactant. The atmospheric lifetime of CH3OCF2CHF2 with OH radicals was determined to be 1.4 years. The global warming potentials over 20-, 100-, and 500-year time horizons were estimated to be 325, 88, and 25, respectively.

AB - Fourier transform infrared spectroscopy has been used to follow the reaction of CH3OCF2CHF2 with either Cl or OH radicals within a photoreactor. Rate constants of k(OH + CH3OCF2CHF2) = (2.25 ± 0.60) × 10–14 cm3 molecule–1 s–1 and k(Cl + CH3OCF2CHF2) = (2.50 ± 0.39) × 10–13 cm3 molecule–1 s–1 were determined at 296 ± 2 K. Theoretical and experimental investigation of the Cl + CH3OCF2CHF2 reaction identified the formation of two main products, HC(O)OCF2CHF2 and COF2. Chlorine (and OH) radicals react with CH3OCF2CHF2 by H-abstraction from either the −CH3 or −CHF2 site. Abstraction from the −CH3 site was determined to constitute at least 60%, as determined from the formation of the primary product, HC(O)OCF2CHF2, which can only form from this abstraction site. At longer reaction times, HC(O)OCF2CHF2 further reacts and the yield of COF2 approaches two, the maximum possible with the number of F atoms in the reactant. The atmospheric lifetime of CH3OCF2CHF2 with OH radicals was determined to be 1.4 years. The global warming potentials over 20-, 100-, and 500-year time horizons were estimated to be 325, 88, and 25, respectively.

U2 - 10.1021/acs.jpca.1c08973

DO - 10.1021/acs.jpca.1c08973

M3 - Journal article

C2 - 34904843

VL - 125

SP - 10640−10648

JO - Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory

JF - Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory

SN - 1089-5639

IS - 50

ER -

ID: 287181298