title: Atmospheric chemistry of acetylacetone.
abstract: A kinetic study on the reactions of the OH radical and ozone with acetylacetone (AcAc) has been performed in a 1080 L quartz glass reaction chamber using in situ FTIR spectroscopy analysis. Temperature dependent rate coefficients for the reaction of AcAc with the OH radical were determined over the temperature range 285-310 K using the relative kinetic method. The following Arrhenius expression was derived: k = 3.35 x 10(-12) exp((983 +/- 130)/T) cm3 molecule(-1) s(-1), where the indicated error is the two least-squares deviation. A rate coefficient (in units of cm3 molecule(-1) s(-1)) of (1.03 +/- 0.31) x 10(-18) has been obtained at (298 +/- 3) K for the reaction of ozone with AcAc. A product investigation on the gas-phase reaction of OH radical with AcAc was conducted in a 405 L borosilicate glass chamber using in situ FTIR spectroscopy to monitor reactants and products. Methylglyoxal, acetic acid, peroxy acetic nitrate (PAN) were positively identified as products with molar yields of (20.8 +/- 4.5)%, (16.9 +/- 3.4)%, and (2.0 +/- 0.5)%, respectively. From the residual infrared spectrum the main products are attributed to 2,3,4-pentantrione (CH3-CO-CO-CO-CH3) and its hydrated analogue pentan-2,3-dione-4-diol (CH3-CO-CO-C(OH)2-CH3). Based on the observed products, a simplified mechanism for the reaction of the OH radical with AcAc is proposed.
authors.affiliation: State Key Joint Laboratory for Environmental Simulation and Pollution Control, College of Environmental Science, Peking University, 100871 Beijing, China.
authors.forename: Shouming
authors.initials: S
authors.lastname: Zhou
authors.forename: Ian
authors.initials: I
authors.lastname: Barnes
authors.forename: Tong
authors.initials: T
authors.lastname: Zhu
authors.forename: Iustinian
authors.initials: I
authors.lastname: Bejan
authors.forename: Mihaela
authors.initials: M
authors.lastname: Albu
authors.forename: Thorsten
authors.initials: T
authors.lastname: Benter
mesh_terms: D001272:Atmosphere / Q000737:chemistry*; D005740:Gases / Q000737:chemistry; D017665:Hydroxyl Radical / Q000737:chemistry; D007700:Kinetics; D010422:Pentanones / Q000737:chemistry*; D013696:Temperature
chemical_list: D005740:Gases; D010422:Pentanones; D017665:Hydroxyl Radical; C008790:acetylacetone