Kinetics of the gas-phase reactions of OH and NO3 radicals with dimethylphenols

Lars P. Thüner; Perla Bardini; Gerard J. Rea; John C. Wenger

doi:10.1021/jp046358p

Kinetics of the gas-phase reactions of OH and NO₃ radicals with dimethylphenols

Lars P. Thüner
, Perla Bardini
, Gerard J. Rea
, John C. Wenger

School of Chemistry

University College Cork

Research output: Contribution to journal › Article › peer-review

Abstract

Rate coefficients for the reactions of hydroxyl (OH) and nitrate (NO ₃) radicals with the six dimethylphenols have been determined at 295 ± 2 K and atmospheric pressure using the relative rate technique. Experiments were performed in a 3.91 m³ atmospheric simulation chamber using in situ FTIR spectroscopy and gas chromatography for chemical analysis. The reactivity of the dimethylphenols is compared to other phenolic compounds and it is shown that the rate coefficients strongly depend on the number and position of the OH and CH₃ substituents around the aromatic ring. In addition, the dimethylphenol isomers appear to exhibit an opposite trend in reactivity for reaction with OH and NO₃ radicals. The rate coefficient data for the dimethylphenols and related phenolic compounds are explained in terms of known mechanistic features of the reactions. The atmospheric implications are also discussed.

Original language	English
Pages (from-to)	11019-11025
Number of pages	7
Journal	Journal of Physical Chemistry A
Volume	108
Issue number	50
DOIs	https://doi.org/10.1021/jp046358p
Publication status	Published - 16 Dec 2004

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title = "Kinetics of the gas-phase reactions of OH and NO3 radicals with dimethylphenols",

abstract = "Rate coefficients for the reactions of hydroxyl (OH) and nitrate (NO 3) radicals with the six dimethylphenols have been determined at 295 ± 2 K and atmospheric pressure using the relative rate technique. Experiments were performed in a 3.91 m3 atmospheric simulation chamber using in situ FTIR spectroscopy and gas chromatography for chemical analysis. The reactivity of the dimethylphenols is compared to other phenolic compounds and it is shown that the rate coefficients strongly depend on the number and position of the OH and CH3 substituents around the aromatic ring. In addition, the dimethylphenol isomers appear to exhibit an opposite trend in reactivity for reaction with OH and NO3 radicals. The rate coefficient data for the dimethylphenols and related phenolic compounds are explained in terms of known mechanistic features of the reactions. The atmospheric implications are also discussed.",

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T1 - Kinetics of the gas-phase reactions of OH and NO3 radicals with dimethylphenols

AU - Thüner, Lars P.

AU - Bardini, Perla

AU - Rea, Gerard J.

AU - Wenger, John C.

PY - 2004/12/16

Y1 - 2004/12/16

N2 - Rate coefficients for the reactions of hydroxyl (OH) and nitrate (NO 3) radicals with the six dimethylphenols have been determined at 295 ± 2 K and atmospheric pressure using the relative rate technique. Experiments were performed in a 3.91 m3 atmospheric simulation chamber using in situ FTIR spectroscopy and gas chromatography for chemical analysis. The reactivity of the dimethylphenols is compared to other phenolic compounds and it is shown that the rate coefficients strongly depend on the number and position of the OH and CH3 substituents around the aromatic ring. In addition, the dimethylphenol isomers appear to exhibit an opposite trend in reactivity for reaction with OH and NO3 radicals. The rate coefficient data for the dimethylphenols and related phenolic compounds are explained in terms of known mechanistic features of the reactions. The atmospheric implications are also discussed.

AB - Rate coefficients for the reactions of hydroxyl (OH) and nitrate (NO 3) radicals with the six dimethylphenols have been determined at 295 ± 2 K and atmospheric pressure using the relative rate technique. Experiments were performed in a 3.91 m3 atmospheric simulation chamber using in situ FTIR spectroscopy and gas chromatography for chemical analysis. The reactivity of the dimethylphenols is compared to other phenolic compounds and it is shown that the rate coefficients strongly depend on the number and position of the OH and CH3 substituents around the aromatic ring. In addition, the dimethylphenol isomers appear to exhibit an opposite trend in reactivity for reaction with OH and NO3 radicals. The rate coefficient data for the dimethylphenols and related phenolic compounds are explained in terms of known mechanistic features of the reactions. The atmospheric implications are also discussed.

UR - https://www.scopus.com/pages/publications/10944228623

U2 - 10.1021/jp046358p

DO - 10.1021/jp046358p

M3 - Article

AN - SCOPUS:10944228623

SN - 1089-5639

VL - 108

SP - 11019

EP - 11025

JO - Journal of Physical Chemistry A

JF - Journal of Physical Chemistry A

IS - 50

ER -

Kinetics of the gas-phase reactions of OH and NO₃ radicals with dimethylphenols

Abstract

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