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2-Butoxyethanol and Benzyl Alcohol Reactions with the Nitrate Radical: Rate Coefficients and Gas-Phase Products

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  • Alternative Title:
    Int J Chem Kinet
  • Personal Author:
  • Description:
    The bimolecular rate coefficients [Formula: see text] and [Formula: see text] were measured using the relative rate technique at (297 ± 3) K and 1 atmosphere total pressure. Values of (2.7 ± 0.7) and (4.0 ± 1.0) × 10(-15) cm(3) molecule(-1) s(-1) were observed for [Formula: see text] and [Formula: see text], respectively. In addition, the products of [Formula: see text] and [Formula: see text] gas-phase reactions were investigated. Derivatizing agents O-(2,3,4,5,6-pentafluorobenzyl)hydroxylamine and N, O-bis (trimethylsilyl)trifluoroacetamide and gas chromatography mass spectrometry (GC/MS) were used to identify the reaction products. For [Formula: see text] reaction: hydroxyacetaldehyde, 3-hydroxypropanal, 4-hydroxybutanal, butoxyacetaldehyde, and 4-(2-oxoethoxy)butan-2-yl nitrate were the derivatized products observed. For the [Formula: see text] reaction: benzaldehyde ((C6H5)C(=O)H) was the only derivatized product observed. Negative chemical ionization was used to identify the following nitrate products: [(2-butoxyethoxy)(oxido)amino]oxidanide and benzyl nitrate, for [Formula: see text] and [Formula: see text], respectively. The elucidation of these products was facilitated by mass spectrometry of the derivatized reaction products coupled with a plausible 2-butoxyethanol or [Formula: see text] reaction mechanisms based on previously published [Formula: see text] gas-phase mechanisms.
  • Subjects:
  • Source:
    Int J Chem Kinet. 44(12):778-788.
  • Pubmed ID:
    26834312
  • Pubmed Central ID:
    PMC4729396
  • Document Type:
    Journal Article
  • Funding:
    CC999999/Intramural CDC HHS/United States
  • Collection(s):
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