Rate coefficients for the reactions of OH radicals with the keto/enol tautomers of 2,4-pentanedione and 3-methyl-2,4-pentanedione, allyl alcohol and methyl vinyl ketone using the enols and methyl nitrite as photolytic sources of OH

Holloway, Anne-Louise; Treacy, Jack; Sidebottom, Howard; Mellouki, Abdelwahid; Daële, Véronique; Bras, G. Le; Barnes, Ian

doi:10.1016/j.jphotochem.2005.08.031

Cited by 41 publications

(37 citation statements)

References 24 publications

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“…As seen from Table I, the rate coefÞcient ratios measured for allyl alcohol in the present work are indistinguishable from those reported by Papagni et al [7], Orlando et al [8], and Hollowell et al [10] in experiments conducted in 1 atm of air, 700 Torr air, and 100-300 Torr helium, respectively. Our rate coefÞcients are consistent with the relative and absolute rate results from Le Person et al [11] and Parker and Espada-Jallad [12].…”

Section: Kinetics Of the Reactions Of Oh With Unsaturated Alcoholssupporting

confidence: 52%

“…There have been six studies of reaction (1) (Papagni et al [7], Orlando et al [8], Upadhyaya et al [9], Holloway et al [10], Le Person et al [11], and Parker and Espada-Jallad [12]), and values of k 1 in the range (3.7-6.8) × 10 −11 cm 3 molecule −1 s −1 have been reported at room temperature. There has been one study of reaction (2); Papagni et al [7] measured k 2 = 5.9 × 10 −11 cm 3 molecule −1 s −1 at 296 K. Nine experimental studies of the kinetics of reaction of OH radicals with 2-methyl-3-buten-2-ol have been conducted (Papagni et al [7], Rudich et al [13], Fantechi et al [14], Ferronato et al [15], Alvarado et al [16], Reisen et al [17], Imamura et al [18], Baasandorj and Stevens [19], and Carrasco et al [20]).…”

Section: Introductionmentioning

confidence: 99%

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Kinetics and mechanisms of OH‐initiated oxidation of small unsaturated alcohols

Takahashi

Hurley

Wallington

2010

Int J of Chemical Kinetics

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Smog chamber relative rate techniques were used to measure rate coefficients of (5.00 ± 0.54) × 10 −11 , (5.87 ± 0.63) × 10 −11 , and (6.49 ± 0.82) × 10 −11 cm 3 molecule −1 s −1 in 700 Torr air at 296 ± 1 K for reactions of OH radicals with allyl alcohol, 1-buten-3-ol, and 2-methyl-3-buten-2-ol, respectively; the quoted uncertainties encompass the extremes of determinations using two different reference compounds. The OH-initiated oxidation of allyl alcohol in the presence of NO x gives glycolaldehyde in a molar yield of 0.85 ± 0.08; the quoted uncertainty is two standard deviations. Oxidation of 2-methyl-3-buten-2-ol gives acetone and glycolaldehyde in molar yields of 0.66 ± 0.06 and 0.56 ± 0.05, respectively. The reaction of OH radicals with allyl alcohol, 1-buten-3-ol, and 2-methyl-3-buten-2-ol proceeds predominately via addition to the >C CH 2 double bond with most of the addition occurring to the terminal carbon. C 2010 Wiley Periodicals, Inc. Int J Chem Kinet 42: [151][152][153][154][155][156][157][158] 2010

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Section: Kinetics Of the Reactions Of Oh With Unsaturated Alcoholssupporting

confidence: 52%

Section: Introductionmentioning

confidence: 99%

Kinetics and mechanisms of OH‐initiated oxidation of small unsaturated alcohols

Takahashi

Hurley

Wallington

2010

Int J of Chemical Kinetics

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“…This may be an additional source of OH radicals during the experiments, that could distort the decay of OH due to its reaction with 2,4-pentanedione. In addition, as stated by Holloway et al [10], the reaction may be in the fall off region over the pressure range of 25 to 50 Torr used during the study carried out by Dagaut et al [9].…”

Section: Comparison With Previous Studiesmentioning

confidence: 81%

“…Only three kinetic studies on 2,4-pentanedione are found in the literature [9,10,11]. However, no data exist on the UV absorption cross sections of 2,4-pentanedione.…”

Section: 4-pentanedione 23-pentanedionementioning

confidence: 99%

UV–visible spectra and gas-phase rate coefficients for the reaction of 2,3-pentanedione and 2,4-pentanedione with OH radicals

Messaadia

Dib

Ferhati

et al. 2015

Chemical Physics Letters

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The UV absorption cross-sections of 2,3-pentanedione and 2,4-pentanedione were measured and their reactions with OH were investigated in the gas-phase using a relative rate method. A temperature dependence of the rate coefficients was observed for both reactions over the temperature range 298 -338 K. This work provides the first UV cross-section in the gas phase for 2,4-pentanedione and the first kinetic data for the reaction of 2,3-pentanedione with OH radicals as a function of temperature. The tropospheric lifetimes obtained in this work suggest that once emitted into the atmosphere, these species could be quickly degraded close to their emission sources.

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“…In turn, Sidebottom and co-workers, [18] using a pulsed laser photolysis/laser-induced fluorescence technique, obtained a value of (1.86 AE 0.12) 10 À11 cm 3 molecule À1 s À1 for the overall MVK reaction at 298 AE 2 K and atmospheric pressure.…”

mentioning

confidence: 99%

Methyl Vinyl Ketone+OH and Methacrolein+OH Oxidation Reactions: A Master Equation Analysis of the Pressure‐ and Temperature‐Dependent Rate Constants

Ochando-Pardo

Nebot–Gil

González‐Lafont

et al. 2007

Chemistry A European J

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High-level electronic structure calculations and master equation analyses were carried out to obtain the pressure- and temperature-dependent rate constants of the methyl vinyl ketone+OH and methacrolein+OH reactions. The balance between the OH addition reactions at the high-pressure limit, the OH addition reactions in the fall-off region, and the pressure-independent hydrogen abstractions involved in these multiwell and multichannel systems, has been shown to be crucial to understand the pressure and temperature dependence of each global reaction. In particular, the fall-off region of the OH addition reactions contributes to the inverse temperature dependence of the rate constants in the Arrhenius plots, leading to pressure-dependent negative activation energies. The pressure dependence of the methyl vinyl ketone+OH reaction is clearly more important than in the case of the methacrolein+OH reaction owing to the weight of the hydrogen abstraction process in this second system. Comparison of the theoretical rate constants and the experimental measurements shows quite good agreement.

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Rate coefficients for the reactions of OH radicals with the keto/enol tautomers of 2,4-pentanedione and 3-methyl-2,4-pentanedione, allyl alcohol and methyl vinyl ketone using the enols and methyl nitrite as photolytic sources of OH

Cited by 41 publications

References 24 publications

Kinetics and mechanisms of OH‐initiated oxidation of small unsaturated alcohols

Kinetics and mechanisms of OH‐initiated oxidation of small unsaturated alcohols

UV–visible spectra and gas-phase rate coefficients for the reaction of 2,3-pentanedione and 2,4-pentanedione with OH radicals

Methyl Vinyl Ketone+OH and Methacrolein+OH Oxidation Reactions: A Master Equation Analysis of the Pressure‐ and Temperature‐Dependent Rate Constants

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