β-Ionone reactions with ozone and OH radical: Rate constants and gas-phase products

The bimolecular rate constants, k OH + β -ionone (118±30)×10 −12 cm 3 molecule −1 s −1 and k O 3 + β ‐ ionone , (0.19±0.05)×10 −16 cm 3 molecule −1 s −1, were measured using the relative rate technique for the reaction of the hydroxyl radical (OH) and ozone (O 3) with 4-(2,6,6-trimethyl-1-cyclohexen...

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Bibliographic Details
Published in:Atmospheric environment (1994) Vol. 41; no. 38; pp. 8758 - 8771
Main Authors: Forester, Crystal D., Ham, Jason E., Wells, J. Raymond
Format: Journal Article
Language:English
Published: Oxford Elsevier Ltd 01.12.2007
Elsevier Science
Subjects:
4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-one
Annelation
Applied sciences
Atmospheric pollution
Exact sciences and technology
Indoor pollution and occupational exposure
Kinetics
Oxygenated organic compounds
Pollution
Reaction products
β-Ionone
β-Irisone
Reaction products
Annelation
β-Ionone
Oxygenated organic compounds
4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-one
Kinetics
β-Irisone
Unsaturated cyclic compound
Pollutant behavior
Reaction product
Ozone
Volatile organic compound
Chemical degradation
Free radical reaction
Chemical reaction kinetics
Ozonization
Atmospheric chemistry
Reaction mechanism
Indoor pollution
Hydroxyl radicals
Oxidation
Enone
Degradation product
Organic compounds
ISSN:1352-2310, 1873-2844
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Summary:The bimolecular rate constants, k OH + β -ionone (118±30)×10 −12 cm 3 molecule −1 s −1 and k O 3 + β ‐ ionone , (0.19±0.05)×10 −16 cm 3 molecule −1 s −1, were measured using the relative rate technique for the reaction of the hydroxyl radical (OH) and ozone (O 3) with 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3-buten-2-one ( β-ionone) at 297±3 K and 1 atm total pressure. To more clearly define part of β-ionone's indoor environment degradation mechanism, the products of the β-ionone+OH and β-ionone+O 3 reactions were also investigated. The identified β-ionone+OH reaction products were: glyoxal (ethanedial, HC(=O)C(=O)H), and methylglyoxal (2-oxopropanal, CH 3C(=O)C(=O)H) and the identified β-ionone+O 3 reaction product was 2-oxopropanal. The derivatizing agents O-(2,3,4,5,6-pentafluorobenzyl)hydroxylamine (PFBHA) and N, O-bis(trimethylsilyl)trifluoroacetamide (BSTFA) were used to propose 2,6,6-trimethylcyclohex-1-ene-1-carbaldehyde as the other major β-ionone+OH and β-ionone+O 3 reaction product. The elucidation of this other reaction product was facilitated by mass spectrometry of the derivatized reaction products coupled with plausible β-ionone+OH and β-ionone+O 3 reaction mechanisms based on previously published volatile organic compound+OH and volatile organic compound+O 3 gas-phase reaction mechanisms. The additional gas-phase products observed from the β-ionone+OH reaction are proposed to be the result of cyclization through a radical intermediate.
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ISSN:1352-2310
1873-2844
DOI:10.1016/j.atmosenv.2007.07.047