Photolysis of 2,3-pentanedione and 2,3-hexanedione: Kinetics, quantum yields, and product study in a simulation chamber

Bouzidi, Hichem; Fittschen, Christa; Coddeville, P.; Tomás, A.

doi:10.1016/j.atmosenv.2013.10.039

Cited by 17 publications

(50 citation statements)

References 28 publications

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“…The FTIR-White cell analytical system was similar to that used in the study carried out by Bouzidi et al, (2014). The IR spectra typically result from the co-addition of 100 interferograms with a resolution of 2 cm À1 representing a measurement time of about 4 min.…”

Section: Sampling and Analytical Techniquesmentioning

confidence: 99%

“…From the obtained photolysis frequencies, the effective quantum yield of the 3H3M2B photolysis can be calculated using acetone and acetaldehyde actinometry experiments according to the following equation (Bacher et al, 2001;Bouzidi et al, 2014): The main sources of uncertainties are the 3H3M2B and actinometer absorption cross-sections, the acetone and acetaldehyde quantum yields and the measured 3H3M2B, acetone and acetaldehyde photolysis frequencies. Using the propagation of errors yields an overall uncertainty of 35% and 28% on the 3H3M2B quantum yields with acetone and acetaldehyde, respectively.…”

Section: Effective Quantum Yieldsmentioning

confidence: 99%

“…Reactant and product concentrations were monitored using classical calibration procedures. Carbonyl products were analysed following the same procedure as that described by Bouzidi et al, (2014) using 2,4-dinitrophenylhydrazine (DNPH) derivatization followed by HPLC-UV analysis.…”

Section: Sampling and Analytical Techniquesmentioning

confidence: 99%

“…In the atmosphere, OVOCs are supposed to react mainly with OH radicals, although reactions with NO 3 , Cl and ozone cannot be excluded for some of the species in specific environments . The photolysis channel could be significant for carbonyl species (Moortgat, 2001;Bouzidi et al, 2014) and yet, its importance in the case of hydroxycarbonyl VOCs is almost unknown, while recent studies suggest that photolysis could be significant (Henry et al, 2012;Messaadia et al, 2012). Atmospheric chemistry of hydroxyacetone, the smallest hydroxyketone compound, is reasonably well understood (Orlando et al, 1999;Dillon et al, 2006).…”

Section: Introductionmentioning

confidence: 98%

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Reactivity of 3-hydroxy-3-methyl-2-butanone: Photolysis and OH reaction kinetics

Bouzidi

Laversin

Tomás

et al. 2014

Atmospheric Environment

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h i g h l i g h t s 3H3M2B photolysis is the major oxidation channel in the atmosphere. Slight positive temperature dependence in the OH þ 3H3M2B reaction kinetics. Need for a better understanding of the atmospheric chemistry of oxygenated VOC. a b s t r a c t Hydroxycarbonyl compounds are important secondary reaction products in the oxidation of Volatile Organic Compounds (VOCs) in the atmosphere. The atmospheric fate of these oxygenated VOCs is however poorly understood, especially the relevance of the photolytic pathway. In this work, a combined investigation of the photolysis and temperature-dependent OH radical reaction of 3-hydroxy-3-methyl-2-butanone (3H3M2B) is presented. A photolysis lifetime of about 4e5 days was estimated with a global quantum yield of 0.10. The OH reaction rate coefficient follows the Arrhenius trend (298e356 K) and could be modelled through the following expression: k 3H3M2B (T) ¼ (5.12 ± 0.07) Â 10 À12 exp(À563 ± 119/ T) in cm 3 molecule À1 s À1 . A 3H3M2B atmospheric lifetime of 15 days towards the OH radical was evaluated. Our results showed that the photolysis pathway is the major degradation channel for 3H3M2B. Photolysis products were identified and quantified in the present work with a carbon balance of around 80% enabling a reaction mechanism to be proposed. The present work underlines the need for further studies on the atmospheric chemistry of oxygenated VOCs.

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Section: Sampling and Analytical Techniquesmentioning

confidence: 99%

Section: Effective Quantum Yieldsmentioning

confidence: 99%

Section: Sampling and Analytical Techniquesmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 98%

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Reactivity of 3-hydroxy-3-methyl-2-butanone: Photolysis and OH reaction kinetics

Bouzidi

Laversin

Tomás

et al. 2014

Atmospheric Environment

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“…The actinic flux values at sea level were taken from Demerjian et al [26]. J p values for 2,3-pentanedione were calculated using the global quantum yield of 0.2 recently determined by Bouzidi et al [27]. A quantum yield of unity was used to calculate those for 2,4-pentendione since the overall quantum yield for this species is not known (Table 4).…”

Section: Atmospheric Photodissociation Rate Constantsmentioning

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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Water Vapor Does Not Catalyze the Reaction between Methanol and OH Radicals

et al. 2019

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Recent reports [Jara-Toro et al.,Angew.Chem. Int. Ed. 2017,56, 2166 and PCCP 2018 suggest that the rate coefficient of OH reactions with alcohols would increase by up to two times in going from dry to high humidity.T his finding would have an impact on the budget of alcohols in the atmosphere and it may explain differences in measured and modeled methanol concentrations.T he results were based on ar elative technique carried out in as mall Teflon bag,w hich might suffer from wall reactions.The effect was reinvestigated using ad irect fluorescence probe of OH radicals,a nd no catalytic effect of H 2 Ocould be found. Experiments in aT eflon bag were also carried out, but the results of Jara-Toro et al. were not reproducible.F urther theoretical calculations show that the water-mediated reactions have negligible rates compared to the bare reaction and that even though water molecules can lower the barriers of reactions,t hey cannot make up for the entropyc ost.

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Photolysis of 2,3-pentanedione and 2,3-hexanedione: Kinetics, quantum yields, and product study in a simulation chamber

Cited by 17 publications

References 28 publications

Reactivity of 3-hydroxy-3-methyl-2-butanone: Photolysis and OH reaction kinetics

Reactivity of 3-hydroxy-3-methyl-2-butanone: Photolysis and OH reaction kinetics

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

Water Vapor Does Not Catalyze the Reaction between Methanol and OH Radicals

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