Kinetics and products of the OH radical-initiated reaction of 1,4-butanediol and rate constants for the reactions of OH radicals with 4-hydroxybutanal and 3-hydroxypropanal

Sherri Mason, Janet Arey, Roger Atkinson

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2 Citations (Scopus)

Abstract

Rate constants for the gas-phase reactions of the OH radical with 1,4-butanediol,4-hydroxybutanal, and 3-hydroxypropanal were measured at 298 ± 2 K and atmospheric pressure using a relative rate technique and with 4-hydroxybutanal and 3-hydroxypropanal being formed in situ from the OH + 1,4-butanediol reaction, and were (in units of 10-11 cm3 molecule-1 s-1) 3.67 ± 0.31, 3.0 -1.0+1.5, and 3.5-1.0+1.3, respectively, with the latter being a lower limit because of the possibility of second-generation formation of 3-hydroxypropanal from OH + 4-hydroxybutanal. The measured formation yields of 4-hydroxybutanal and 3-hydroxypropanal from the OH + 1,4-butanediol reaction in the presence of NO were 58 ± 19% and 55 ± 12%, respectively. In addition to the formation of 4-hydroxybutanal and 3-hydroxypropanal, gas chromatography-mass spectrometric analyses of reacted OH +1,4-butanediol reactions showed formation of glycolaldehyde [HOCH 2CHO], malonaldehyde [HC(O)CH2CHO], and 1,4-butanedial [HC(O)CH2CH2CHO]. Glycolaldehyde, malonaldehyde, and 1,4-butanedial are expected products of the reaction of OH radicals with 4-hydroxybutanal, and glycolaldehyde and malonaldehyde are expected products of the reaction of OH radicals with 3-hydroxypropanal. Reaction mechanisms are presented and discussed.

Original languageEnglish (US)
Pages (from-to)707-713
Number of pages7
JournalEnvironmental Science and Technology
Volume44
Issue number2
DOIs
StatePublished - Jan 15 2010

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Rate constants
kinetics
Kinetics
Malondialdehyde
gas phase reaction
atmospheric pressure
gas chromatography
Gas chromatography
Atmospheric pressure
4-hydroxybutanal
1,4-butanediol
rate
product
Gases
Molecules
glycolaldehyde
succindialdehyde
in situ

All Science Journal Classification (ASJC) codes

  • Chemistry(all)
  • Environmental Chemistry

Cite this

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title = "Kinetics and products of the OH radical-initiated reaction of 1,4-butanediol and rate constants for the reactions of OH radicals with 4-hydroxybutanal and 3-hydroxypropanal",
abstract = "Rate constants for the gas-phase reactions of the OH radical with 1,4-butanediol,4-hydroxybutanal, and 3-hydroxypropanal were measured at 298 ± 2 K and atmospheric pressure using a relative rate technique and with 4-hydroxybutanal and 3-hydroxypropanal being formed in situ from the OH + 1,4-butanediol reaction, and were (in units of 10-11 cm3 molecule-1 s-1) 3.67 ± 0.31, 3.0 -1.0+1.5, and 3.5-1.0+1.3, respectively, with the latter being a lower limit because of the possibility of second-generation formation of 3-hydroxypropanal from OH + 4-hydroxybutanal. The measured formation yields of 4-hydroxybutanal and 3-hydroxypropanal from the OH + 1,4-butanediol reaction in the presence of NO were 58 ± 19{\%} and 55 ± 12{\%}, respectively. In addition to the formation of 4-hydroxybutanal and 3-hydroxypropanal, gas chromatography-mass spectrometric analyses of reacted OH +1,4-butanediol reactions showed formation of glycolaldehyde [HOCH 2CHO], malonaldehyde [HC(O)CH2CHO], and 1,4-butanedial [HC(O)CH2CH2CHO]. Glycolaldehyde, malonaldehyde, and 1,4-butanedial are expected products of the reaction of OH radicals with 4-hydroxybutanal, and glycolaldehyde and malonaldehyde are expected products of the reaction of OH radicals with 3-hydroxypropanal. Reaction mechanisms are presented and discussed.",
author = "Sherri Mason and Janet Arey and Roger Atkinson",
year = "2010",
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TY - JOUR

T1 - Kinetics and products of the OH radical-initiated reaction of 1,4-butanediol and rate constants for the reactions of OH radicals with 4-hydroxybutanal and 3-hydroxypropanal

AU - Mason, Sherri

AU - Arey, Janet

AU - Atkinson, Roger

PY - 2010/1/15

Y1 - 2010/1/15

N2 - Rate constants for the gas-phase reactions of the OH radical with 1,4-butanediol,4-hydroxybutanal, and 3-hydroxypropanal were measured at 298 ± 2 K and atmospheric pressure using a relative rate technique and with 4-hydroxybutanal and 3-hydroxypropanal being formed in situ from the OH + 1,4-butanediol reaction, and were (in units of 10-11 cm3 molecule-1 s-1) 3.67 ± 0.31, 3.0 -1.0+1.5, and 3.5-1.0+1.3, respectively, with the latter being a lower limit because of the possibility of second-generation formation of 3-hydroxypropanal from OH + 4-hydroxybutanal. The measured formation yields of 4-hydroxybutanal and 3-hydroxypropanal from the OH + 1,4-butanediol reaction in the presence of NO were 58 ± 19% and 55 ± 12%, respectively. In addition to the formation of 4-hydroxybutanal and 3-hydroxypropanal, gas chromatography-mass spectrometric analyses of reacted OH +1,4-butanediol reactions showed formation of glycolaldehyde [HOCH 2CHO], malonaldehyde [HC(O)CH2CHO], and 1,4-butanedial [HC(O)CH2CH2CHO]. Glycolaldehyde, malonaldehyde, and 1,4-butanedial are expected products of the reaction of OH radicals with 4-hydroxybutanal, and glycolaldehyde and malonaldehyde are expected products of the reaction of OH radicals with 3-hydroxypropanal. Reaction mechanisms are presented and discussed.

AB - Rate constants for the gas-phase reactions of the OH radical with 1,4-butanediol,4-hydroxybutanal, and 3-hydroxypropanal were measured at 298 ± 2 K and atmospheric pressure using a relative rate technique and with 4-hydroxybutanal and 3-hydroxypropanal being formed in situ from the OH + 1,4-butanediol reaction, and were (in units of 10-11 cm3 molecule-1 s-1) 3.67 ± 0.31, 3.0 -1.0+1.5, and 3.5-1.0+1.3, respectively, with the latter being a lower limit because of the possibility of second-generation formation of 3-hydroxypropanal from OH + 4-hydroxybutanal. The measured formation yields of 4-hydroxybutanal and 3-hydroxypropanal from the OH + 1,4-butanediol reaction in the presence of NO were 58 ± 19% and 55 ± 12%, respectively. In addition to the formation of 4-hydroxybutanal and 3-hydroxypropanal, gas chromatography-mass spectrometric analyses of reacted OH +1,4-butanediol reactions showed formation of glycolaldehyde [HOCH 2CHO], malonaldehyde [HC(O)CH2CHO], and 1,4-butanedial [HC(O)CH2CH2CHO]. Glycolaldehyde, malonaldehyde, and 1,4-butanedial are expected products of the reaction of OH radicals with 4-hydroxybutanal, and glycolaldehyde and malonaldehyde are expected products of the reaction of OH radicals with 3-hydroxypropanal. Reaction mechanisms are presented and discussed.

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