Atmospheric Chemistry of Pentafluorophenol: Kinetics and Mechanism of the Reactions of Cl Atoms and OH Radicals

Freja Hasager; Simone  Thirstrup Andersen; Sofie Askjaer Hass; Mads P. Sulbaek Andersen; Ole John Nielsen

doi:10.1021/acs.jpca.9b07781

Atmospheric Chemistry of Pentafluorophenol: Kinetics and Mechanism of the Reactions of Cl Atoms and OH Radicals

Freja Hasager, Simone Thirstrup Andersen, Sofie Askjaer Hass, Mads P. Sulbaek Andersen^*, Ole John Nielsen

^*Corresponding author for this work

1 Citation (Scopus)

Abstract

Fourier transform infrared smog chamber techniques were used to study the kinetics and mechanisms of the reactions of Cl atoms and OH radicals with pentafluorophenol (C₆F₅OH) in 700 Torr total pressure of air or N₂ diluent at 296 ± 2 K. Rate constants k(OH + C₆F₅OH) = (6.88 ± 1.37) × 10^-12 cm³ molecule^-1 s^-1 and k(Cl + C₆F₅OH) = (2.52 ± 0.31) × 10^-11 cm³ s^-1 molecule^-1 in 700 Torr air diluent were determined. In 700 Torr N₂, the rate constant for the reaction of C₆F₅OH with Cl atoms is linearly dependent on the Cl atom concentration. Product studies on this reaction in both 700 Torr air and 700 Torr N₂ diluent show the formation of nonconjugated products. The photolysis constant of C₆F₅OH was determined by 254 nm UV irradiation of a C₆F₅OH and CH₃CHO mixture in 700 Torr air or N₂ at 296 ± 2 K and yielded a photolysis rate constant of J(C₆F₅OH) = (2.83 ± 0.25) × 10^-3 s^-1. Results are discussed with respect to the atmospheric chemistry of other halogenated aromatic species.

Original language	English
Journal	Journal of Physical Chemistry A
Volume	123
Issue number	47
Pages (from-to)	10315-10322
ISSN	1089-5639
DOIs	https://doi.org/10.1021/acs.jpca.9b07781
Publication status	Published - 27 Nov 2019

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@article{39ae3135e56a42f0bce14b0a8e9b286c,

title = "Atmospheric Chemistry of Pentafluorophenol: Kinetics and Mechanism of the Reactions of Cl Atoms and OH Radicals",

abstract = "Fourier transform infrared smog chamber techniques were used to study the kinetics and mechanisms of the reactions of Cl atoms and OH radicals with pentafluorophenol (C6F5OH) in 700 Torr total pressure of air or N2 diluent at 296 ± 2 K. Rate constants k(OH + C6F5OH) = (6.88 ± 1.37) × 10-12 cm3 molecule-1 s-1 and k(Cl + C6F5OH) = (2.52 ± 0.31) × 10-11 cm3 s-1 molecule-1 in 700 Torr air diluent were determined. In 700 Torr N2, the rate constant for the reaction of C6F5OH with Cl atoms is linearly dependent on the Cl atom concentration. Product studies on this reaction in both 700 Torr air and 700 Torr N2 diluent show the formation of nonconjugated products. The photolysis constant of C6F5OH was determined by 254 nm UV irradiation of a C6F5OH and CH3CHO mixture in 700 Torr air or N2 at 296 ± 2 K and yielded a photolysis rate constant of J(C6F5OH) = (2.83 ± 0.25) × 10-3 s-1. Results are discussed with respect to the atmospheric chemistry of other halogenated aromatic species.",

author = "Freja Hasager and Andersen, {Simone Thirstrup} and Hass, {Sofie Askjaer} and {Sulbaek Andersen}, {Mads P.} and Nielsen, {Ole John}",

year = "2019",

month = nov,

day = "27",

doi = "10.1021/acs.jpca.9b07781",

language = "English",

volume = "123",

pages = "10315--10322",

journal = "Journal of Physical Chemistry A",

issn = "1089-5639",

publisher = "American Chemical Society",

number = "47",

}

TY - JOUR

T1 - Atmospheric Chemistry of Pentafluorophenol

T2 - Kinetics and Mechanism of the Reactions of Cl Atoms and OH Radicals

AU - Hasager, Freja

AU - Andersen, Simone Thirstrup

AU - Hass, Sofie Askjaer

AU - Sulbaek Andersen, Mads P.

AU - Nielsen, Ole John

PY - 2019/11/27

Y1 - 2019/11/27

N2 - Fourier transform infrared smog chamber techniques were used to study the kinetics and mechanisms of the reactions of Cl atoms and OH radicals with pentafluorophenol (C6F5OH) in 700 Torr total pressure of air or N2 diluent at 296 ± 2 K. Rate constants k(OH + C6F5OH) = (6.88 ± 1.37) × 10-12 cm3 molecule-1 s-1 and k(Cl + C6F5OH) = (2.52 ± 0.31) × 10-11 cm3 s-1 molecule-1 in 700 Torr air diluent were determined. In 700 Torr N2, the rate constant for the reaction of C6F5OH with Cl atoms is linearly dependent on the Cl atom concentration. Product studies on this reaction in both 700 Torr air and 700 Torr N2 diluent show the formation of nonconjugated products. The photolysis constant of C6F5OH was determined by 254 nm UV irradiation of a C6F5OH and CH3CHO mixture in 700 Torr air or N2 at 296 ± 2 K and yielded a photolysis rate constant of J(C6F5OH) = (2.83 ± 0.25) × 10-3 s-1. Results are discussed with respect to the atmospheric chemistry of other halogenated aromatic species.

AB - Fourier transform infrared smog chamber techniques were used to study the kinetics and mechanisms of the reactions of Cl atoms and OH radicals with pentafluorophenol (C6F5OH) in 700 Torr total pressure of air or N2 diluent at 296 ± 2 K. Rate constants k(OH + C6F5OH) = (6.88 ± 1.37) × 10-12 cm3 molecule-1 s-1 and k(Cl + C6F5OH) = (2.52 ± 0.31) × 10-11 cm3 s-1 molecule-1 in 700 Torr air diluent were determined. In 700 Torr N2, the rate constant for the reaction of C6F5OH with Cl atoms is linearly dependent on the Cl atom concentration. Product studies on this reaction in both 700 Torr air and 700 Torr N2 diluent show the formation of nonconjugated products. The photolysis constant of C6F5OH was determined by 254 nm UV irradiation of a C6F5OH and CH3CHO mixture in 700 Torr air or N2 at 296 ± 2 K and yielded a photolysis rate constant of J(C6F5OH) = (2.83 ± 0.25) × 10-3 s-1. Results are discussed with respect to the atmospheric chemistry of other halogenated aromatic species.

U2 - 10.1021/acs.jpca.9b07781

DO - 10.1021/acs.jpca.9b07781

M3 - Journal article

C2 - 31665882

AN - SCOPUS:85075124470

SN - 1089-5639

VL - 123

SP - 10315

EP - 10322

JO - Journal of Physical Chemistry A

JF - Journal of Physical Chemistry A

IS - 47

ER -

Atmospheric Chemistry of Pentafluorophenol: Kinetics and Mechanism of the Reactions of Cl Atoms and OH Radicals

Abstract

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