Kinetics and Products of the Gas-Phase Reaction of OH Radicals with 5-Hydroxy-2-Pentanone at 296± 2 K

Authors: Aschmann S.M.¹; Arey J.²; Atkinson R.³

Source: Journal of Atmospheric Chemistry, Volume 45, Number 3, July 2003 , pp. 289-299(11)

Publisher: Springer

Abstract:

The 1,4-hydroxycarbonyl 5-hydroxy-2-pentanone is an important product of the gas-phase reaction of OH radicals with n-pentane in the presence of NO. We have used a relative rate method with 4-methyl-2-pentanone as the reference compound to measure the rate constant for the reaction of OH radicals with 5-hydroxy-2-pentanone at 296 ± 2 K. The carbonyls were sampled by on-fiber derivatization using a Solid Phase Micro Extraction (SPME) fiber coated with O>-(2,3,4,5,6-pentafluorobenzyl)hydroxylamine hydrochloride with subsequent thermal desorption of the oxime derivatives and quantification by gas chromatography with flame ionization detection. For comparison, the reference compound was also analyzed following sample collection onto a Tenax adsorbent cartridge. Products of the reaction were investigated using coated-fiber SPME sampling with gas chromatography-mass spectrometry analysis as well as by using in situ atmospheric pressure ionization mass spectrometry. A rate constant for the reaction of OH radicals with 5-hydroxy-2-pentanone of (1.6 ± 0.4) × 10^-11cm³ molecule^-1 s^-1 was obtained at 296 ±2 K. Two dicarbonyl products, of molecular weight 86 and 100, were observed and are attributed to CH₃C(O)CH₂CHO and CH₃C(O)CH₂CH₂CHO, respectively. Reaction schemes leading to these products are presented.

Keywords: atmospheric reactions; 5-hydroxy-2-pentanone; hydroxyl radical; reaction products; SPME

Language: English

Document Type: Research article

Affiliations: 1: Air Pollution Research Center, University of California, Riverside, CA 92521, U.S.A. 2: Air Pollution Research Center, University of California, Riverside, CA 92521, U.S.A.; Also Department of Environmental Sciences and Interdepartmental Graduate Program in Environmental Toxicology, e-mail: janet.arey@ucr.edu 3: Air Pollution Research Center, University of California, Riverside, CA 92521, U.S.A.; Also Department of Environmental Sciences and Interdepartmental Graduate Program in Environmental Toxicology; Also Department of Chemistry, e-mail: ratkins@mail

Publication date: 2003-07-01

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• In this Subject: Meteorology & Climatology
• By this author: Aschmann S.M. ;  Arey J. ;  Atkinson R.

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