4360-53-6Relevant academic research and scientific papers
Products of the OH radical-initiated reactions of furan, 2- and 3-methylfuran, and 2,3- and 2,5-dimethylfuran in the presence of NO
Aschmann, Sara M.,Nishino, Noriko,Arey, Janet,Atkinson, Roger
, p. 457 - 466 (2014/02/14)
Products of the gas-phase reactions of OH radicals with furan, furan-d 4, 2- and 3-methylfuran, and 2,3- and 2,5-dimethylfuran have been investigated in the presence of NO using direct air sampling atmospheric pressure ionization tandem mass spectrometry (API-MS and API-MS/MS), and gas chromatography with flame ionization and mass spectrometric detectors (GC-FID and GC-MS) to analyze samples collected onto annular denuders coated with XAD solid adsorbent and further coated with O-(2,3,4,5,6-pentafluorobenzyl) hydroxylamine for derivatization of carbonyl-containing compounds to their oximes. The products observed were unsaturated 1,4-dicarbonyls, unsaturated carbonyl-acids and/or hydroxy-furanones, and from 2,5-dimethylfuran, an unsaturated carbonyl-ester. Quantification of the unsaturated 1,4-dicarbonyls was carried out by GC-FID using 2,5-hexanedione as an internal standard, and the measured molar formation yields were: HC(O)CH=CHCHO (dominantly the E-isomer) from OH + furan, 75 ± 5%; CH3C(O)CH=CHCHO (dominantly the E-isomer) from OH + 2-methylfuran, 31 ± 5%; HC(O)C(CH3)=CHCHO (a E-/Z-mixture) from OH + 3-methylfuran, 38 ± 2%; and CH 3C(O)C(CH3)=CHCHO from OH + 2,3-dimethylfuran, 8 ± 2%. In addition, a formation yield of 3-hexene-2,5-dione from OH + 2,5-dimethylfuran of 27% was obtained from a single experiment, in good agreement with a previous value of 24 ± 3% from GC-FID analyses of samples collected onto Tenax solid adsorbent without derivatization.
Investigation of the role of bicyclic peroxy radicals in the oxidation mechanism of toluene
Birdsall, Adam W.,Andreoni, John F.,Elrod, Matthew J.
scheme or table, p. 10655 - 10663 (2011/08/07)
The products of the primary OH-initiated oxidation of toluene were investigated using the turbulent flow chemical ionization mass spectrometry technique under different oxygen, NO, and initial OH radical concentrations as well as a range of total pressures. The bicyclic peroxy radical intermediate, a key proposed intermediate species in the Master Chemical Mechanism (MCM) for the atmospheric oxidation of toluene, was detected for the first time. The toluene oxidation mechanism was shown to have a strong oxygen concentration dependence, presumably due to the central role of the bicyclic peroxy radical in determining the stable product distribution at atmospheric oxygen concentrations. The results also suggest a potential role for bicyclic peroxy radical + HO 2 reactions at high HO2/NO ratios. These reactions are postulated to be a source of the inconsistencies between environmental chamber results and predictions from the MCM.
