The OH production from the π–π* transition of acetylacetone

Yoon, Myung Hwan; Choi, Young Sik; Kim, Sang Kyu

doi:10.1016/s0009-2614(98)01373-6

Cited by 34 publications

(36 citation statements)

References 24 publications

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“…The major sink of the enols HMAC and HMVK should be their reaction with OH, leading in part to formic acid formation (see Table 2). Based on the experimental study of Yoon et al (1999), photolysis of the analogous ketone-enol form of acetylacetone (CH 3 C(O)CH=C(OH)CH 3 ) yields OH and a vinylic co-product radical up to a wavelength of 312 nm, with an OH appearance rate of 10 8 s −1 or higher around 300 nm, implying a quantum yield at atmospheric pressure of the order of 0.1 (instead of a near-unit quantum yield as assumed by Liu et al, 2017). The absorption cross sections of the enols are obtained from the acetylacetone study of Nakanishi et al (1977).…”

Section: Hpald Photolysismentioning

confidence: 99%

Chemistry and deposition in the Model of Atmospheric composition at Global and Regional scales using Inversion Techniques for Trace gas Emissions (MAGRITTE v1.1) – Part 1: Chemical mechanism

Müller¹,

Stavrakou

Peeters

2019

Geosci. Model Dev.

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Abstract. A new chemical mechanism for the oxidation of biogenic volatile organic compounds (BVOCs) is presented and implemented in the Model of Atmospheric composition at Global and Regional scales using Inversion Techniques for Trace gas Emissions (MAGRITTE v1.1). With a total of 105 organic species and over 265 gas-phase reactions, 69 photodissociations, and 7 heterogeneous reactions, the mechanism treats the chemical degradation of isoprene – its main focus – as well as acetaldehyde, acetone, methylbutenol, and the family of monoterpenes. Regarding isoprene, the mechanism incorporates a state-of-the-art representation of its oxidation scheme accounting for all major advances put forward in recent theoretical and laboratory studies. The recycling of OH radicals in isoprene oxidation through the isomerization of Z-δ-hydroxyperoxy radicals is found to enhance OH concentrations by up to 40 % over western Amazonia in the boundary layer and by 10 %–15 % over the southeastern US and Siberia in July. The model and its chemical mechanism are evaluated against the suite of chemical measurements from the SEAC4RS (Studies of Emissions and Atmospheric Composition, Clouds and Climate Coupling by Regional Surveys) airborne campaign, demonstrating a good overall agreement for major isoprene oxidation products, although the aerosol hydrolysis of tertiary and non-tertiary nitrates remain poorly constrained. The comparisons for methylnitrate indicate a very low nitrate yield (<3×10-4) in the CH3O2+NO reaction. The oxidation of isoprene, acetone, and acetaldehyde by OH is shown to be a substantial source of enols and keto-enols, primarily through the photolysis of multifunctional carbonyls generated in their oxidation schemes. Oxidation of those enols by OH radicals constitutes a sizable source of carboxylic acids estimated at 9 Tg (HC(O)OH) yr−1 and 11 Tg(CH3C(O)OH) yr−1 or ∼20 % of their global identified source. The ozonolysis of alkenes is found to be a smaller source of HC(O)OH (6 Tg HC(O)OH yr−1) than previously estimated, due to several factors including the strong deposition sink of hydroxymethyl hydroperoxide (HMHP).

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Section: Hpald Photolysismentioning

confidence: 99%

Chemistry and deposition in the Model of Atmospheric composition at Global and Regional scales using Inversion Techniques for Trace gas Emissions (MAGRITTE v1.1) – Part 1: Chemical mechanism

Müller¹,

Stavrakou

Peeters

2019

Geosci. Model Dev.

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“…In another work (Yoon et al, 1999), OH radical was observed as a photo-fragment production of AA in gas phase due to the p-p* transition of the enolic AA.…”

Section: Introductionmentioning

confidence: 97%

“…The basic photophysical and photochemical processes of AA have been intensively investigated in gas phase (Zhou et al, 2008;Mayo and Takeshita, 1963;Yoon et al, 1999;Harrison and Lossing, 1959) and in isolated cryogenic matrices (Trivella et al, 2010). The photodynamics of AA, especially the photoisomerization and dissociation are the main focus points in these studies.…”

Section: Introductionmentioning

confidence: 99%

Fate and implication of acetylacetone in photochemical processes for water treatment

Zhang

2016

Water Research

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“…羰基官能团很容易发生 n-π*跃迁至激发态 [26][27][28][29][30][31] , 该激发态沿 n 轨道具有亲电性, 沿 π 面具有亲核性. 在气相体系中羰基激发态的辐射寿命相对较长, 有足够的时间发生各类光化学反应, 产生自由基 [11,[31][32][33] .…”

Section: 双酮的结构及光化学性质unclassified

Diketone and UV based advanced oxidation/reduction technologies: molecular mechanisms and research advances

Zhang¹,

Wu²,

Zhang³

et al. 2021

Sci. Sin.-Chim

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The practical application of most of the UV-based advanced oxidation/reduction technologies (AOTs) is still limited because of the poor selectivity of the reactive species in the UV-based AOTs and the inner filter effects caused by the complicated components in real waters. Recently, new photochemical techniques based on low molecular weight diketones have attracted much attention because of the higher selectivity and the stronger anti-interference ability. This review summarizes the current research progress on diketone-mediated photochemical processes, with emphasis on the role of the enol tautomer in electron/energy transfer. The characteristics of UV/diketone and its potential applications in water pollution control are preliminarily discussed. Moreover, the remaining questions in the current research on UV/diketones are analyzed, and the future research directions are proposed.

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The OH production from the π–π* transition of acetylacetone

Cited by 34 publications

References 24 publications

Chemistry and deposition in the Model of Atmospheric composition at Global and Regional scales using Inversion Techniques for Trace gas Emissions (MAGRITTE v1.1) – Part 1: Chemical mechanism

Chemistry and deposition in the Model of Atmospheric composition at Global and Regional scales using Inversion Techniques for Trace gas Emissions (MAGRITTE v1.1) – Part 1: Chemical mechanism

Fate and implication of acetylacetone in photochemical processes for water treatment

Diketone and UV based advanced oxidation/reduction technologies: molecular mechanisms and research advances

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