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Environ Sci Technol

Title:		"Kinetics of the reactions of OH radicals with 2- and 3-methylfuran, 2,3- and 2,5-dimethylfuran, and E- and Z-3-hexene-2,5-dione, and products of OH + 2,5-dimethylfuran"
Author(s):		Aschmann SM; Nishino N; Arey J; Atkinson R;
Address:		"Air Pollution Research Center, University of California , Riverside, California 92521, United States"
Journal Title:		Environ Sci Technol
Year:		2011
Volume:		20110210
Issue:		5
Page Number:		1859 - 1865
DOI:		10.1021/es103207k
ISSN/ISBN:		1520-5851 (Electronic) 0013-936X (Linking)
Abstract:		"Furan and alkylfurans are present in the atmosphere from direct emissions and in situ formation from other volatile organic compounds. The OH radical-initiated reactions of furan and alkylfurans have been proposed as relatively clean in situ sources of unsaturated 1,4-dicarbonyls, some of which are otherwise not readily available. Using a relative rate method, rate constants at 296 +/- 2 K for the gas-phase reactions of OH radicals with 2- and 3-methylfuran, 2,3- and 2,5-dimethylfuran, and Z- and E-3-hexene-2,5-dione have been measured, of (in units of 10(-11) cm(3) molecule(-1) s(-1)): 2-methylfuran, 7.31 +/- 0.35; 3-methylfuran, 8.73 +/- 0.18; 2,3-dimethylfuran, 12.6 +/- 0.4; 2,5-dimethylfuran, 12.5 +/- 0.4; Z-3-hexene-2,5-dione, 5.90 +/- 0.57; and E-3-hexene-2,5-dione, 4.14 +/- 0.02. Products of the OH radical-initiated reaction of 2,5-dimethylfuran were investigated, with 3-hexene-2,5-dione being formed with molar yields of 24 +/- 3% in the presence of NO and 34 +/- 3% in the absence of NO. Direct air sampling atmospheric pressure ionization mass spectrometry showed the formation of additional products of molecular weight 114, attributed to CH(3)C(O)CH horizontal line CHC(O)OH and/or 5-hydroxy-5-methyl-2-furanone, and 128, attributed to CH(3)C(O)OC(CH(3)) = CHCHO"
Keywords:		Air Pollutants/*chemistry Alkenes/*chemistry Atmosphere/chemistry Furans/*chemistry Hydroxyl Radical/*chemistry Kinetics Volatile Organic Compounds/*chemistry;
Notes:		"MedlineAschmann, Sara M Nishino, Noriko Arey, Janet Atkinson, Roger eng Research Support, Non-U.S. Gov't Research Support, U.S. Gov't, Non-P.H.S. 2011/02/12 Environ Sci Technol. 2011 Mar 1; 45(5):1859-65. doi: 10.1021/es103207k. Epub 2011 Feb 10"