Geraniol (2,6-dimethyl-2,6-octadien-8-ol) reactions with ozone and OH radical: Rate constants and gas-phase products

Forester, Crystal D.; Ham, Jason E.; Wells, J. R.

doi:10.1016/j.atmosenv.2006.09.042

Cited by 35 publications

(45 citation statements)

References 33 publications

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“…Glycolaldehyde has been observed by this group, and both the mass spectrum and retention times are in good agreement with previous work [22].…”

Section: Oxime At Retention Time Of 161 Minsupporting

confidence: 91%

“…The m/z 256 ion is the result of a PFBHA derivatization, indicating a reaction product with a molecular weight of 60. A proposed reaction product assignment of hydroxyacetaldehyde (CH(=O)CH 2 OH) (glycolaldehyde) was based on the observed data and previous investigations [22]. Time of 10.0, 10.3, and 10.5 …”

Section: Oxime At Retention Time Of 100 and 103 Minmentioning

confidence: 94%

“…The derivatization of hydroxy groups (alcohols) was achieved by subsequent reconstitution of the dried PF-BHA oximes with 150 μL of commercially available BSTFA. These PFBHA/BSTFA solutions were heated to approximately 60°C for 45 min to complete the silylation and then 1 μL of the solution was injected into the Varian 3800/Saturn 2000 GC/MS system [22].…”

Section: Methodsmentioning

confidence: 99%

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2–Butoxyethanol and benzyl alcohol reactions with the nitrate radical: Rate coefficients and gas‐phase products

Harrison

Wells

2012

Int J of Chemical Kinetics

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The bimolecular rate coefficients and 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 and ,respectively. In addition, the products of and gasphase 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 reaction: hydroxyacetaldehyde, 3-hydroxypropanal, 4-hydroxybutanal, butoxyacetaldehyde, and 4-(2-oxoethoxy)butan-2-yl nitrate were the derivatized products observed. For the reaction: benzaldehyde ((C 6 H 5 )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 and , respectively. The elucidation of these products was facilitated by mass spectrometry of the derivatized reaction products coupled with a plausible 2-butoxyethanol or reaction mechanisms based on previously published gas-phase mechanisms.

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“…Glycolaldehyde has been observed by this group, and both the mass spectrum and retention times are in good agreement with previous work [22].…”

Section: Oxime At Retention Time Of 161 Minsupporting

confidence: 91%

Section: Oxime At Retention Time Of 100 and 103 Minmentioning

confidence: 94%

Section: Methodsmentioning

confidence: 99%

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2–Butoxyethanol and benzyl alcohol reactions with the nitrate radical: Rate coefficients and gas‐phase products

Harrison

Wells

2012

Int J of Chemical Kinetics

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“…The experimental procedures for determining the β-ionone + NO 3 • reaction kinetics were similar to those described previously [18,19].…”

Section: Methodsmentioning

confidence: 99%

“…Experiments to measure the gas-phase rate constant of the NO 3 • + 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3-buten-2-one (β-ionone, Structure 1) reaction were conducted with a previously described apparatus [18,19]. A brief description is provided here.…”

Section: Apparatus and Materialsmentioning

confidence: 99%

β‐Ionone reactions with the nitrate radical: Rate constant and gas‐phase products

Harrison

Ham

2009

Int J of Chemical Kinetics

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The bimolecular rate constant of k N O 3 ·+β-ionone (9.4 ± 2.4 × 10 −12 cm 3 molecule −1 s −1 was measured using the relative rate technique for the reaction of the nitrate radical (NO 3 •) with 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3-buten-2-one (β-ionone) at (297 ± 3) K and 1 atmosphere total pressure. In addition, the products of β-ionone + NO 3 • reaction were also investigated. The identified reaction products were O-(2,3,4,5,6-pentafluorobenzyl) hydroxylamine and N,O-bis(trimethylsilyl)trifluoroacetamide were used to propose the other major reaction products: 3-oxobutane-1,2-diyl nitrate, 2,6,6-trimethylcyclohex-1-ene-carbaldehyde, 2-oxo-1-(2,6,6-trimethylcyclohex-1-en-1-yl)ethyl nitrate, pentane-2,4-dione, 3-oxo-1-(2,6,6-trimethylcyclohex-1-en-1-yl)butane-1,2-diyl dinitrate, 3,3-dimethylcyclohexane-1,2-dione, and 4-oxopent-2-enal. The elucidation of these products was facilitated by mass spectrometry of the derivatized reaction products coupled with plausible β-ionone + NO 3 • reaction mechanisms based on previously published volatile organic compound + NO 3 • gas-phase mechanisms. The additional gas-phase products 5-acetyl-2-ethylidene-3-methylcyclopentyl nitrate, 1-(1-hydroxy-7,7-dimethyl-2,3,4,5,6,7-hexahydro-1H -inden-2-yl)ethanone, 1-(1-hydroxy-3a ,7-dimethyl-2,3,3a ,4,5,6,-hexahydro-1H -inden-2-yl)ethanone, and 5-acetyl-2-ethylidene-3-methylcyclopentanone are proposed to be the result of cyclization through a reaction intermediate. glyoxal (HC( O)C( O)H), and methylglyoxal (CH 3 C( O)C( O)H). Derivatizing agents

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Volatiles – An Interdisciplinary Approach

Herrmann

2010

The Chemistry and Biology of Volatiles

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Geraniol (2,6-dimethyl-2,6-octadien-8-ol) reactions with ozone and OH radical: Rate constants and gas-phase products

Cited by 35 publications

References 33 publications

2–Butoxyethanol and benzyl alcohol reactions with the nitrate radical: Rate coefficients and gas‐phase products

2–Butoxyethanol and benzyl alcohol reactions with the nitrate radical: Rate coefficients and gas‐phase products

β‐Ionone reactions with the nitrate radical: Rate constant and gas‐phase products

Volatiles – An Interdisciplinary Approach

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