Suppr超能文献

2-丁氧基乙醇和苯甲醇与硝酸根自由基的反应:速率系数和气相产物

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

作者信息

Harrison Joel C, Wells J R

机构信息

Exposure Assessment Branch, Health Effects Laboratory Division, National Institute for Occupational Safety and Health, Morgantown, WV 26505.

出版信息

Int J Chem Kinet. 2012 Dec;44(12):778-788. doi: 10.1002/kin.20726. Epub 2012 Jun 14.

Abstract

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 cm molecule s 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 -(2,3,4,5,6-pentafluorobenzyl)hydroxylamine and -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 ((CH)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.

摘要

在(297±3)K和1个大气压的总压力下,使用相对速率技术测量了双分子速率系数[公式:见原文]和[公式:见原文]。对于[公式:见原文]和[公式:见原文],分别观察到(2.7±0.7)和(4.0±1.0)×10⁻¹² cm³ molecule⁻¹ s⁻¹的值。此外,还研究了[公式:见原文]和[公式:见原文]气相反应的产物。使用衍生剂 -(2,3,4,5,6 - 五氟苄基)羟胺和 - 双(三甲基硅基)三氟乙酰胺以及气相色谱 - 质谱联用仪(GC/MS)来鉴定反应产物。对于[公式:见原文]反应:观察到的衍生化产物有羟基乙醛、3 - 羟基丙醛、4 - 羟基丁醛、丁氧基乙醛和4 -(2 - 氧代乙氧基)丁 - 2 - 基硝酸盐。对于[公式:见原文]反应:观察到的唯一衍生化产物是苯甲醛((CH)C(=O)H)。分别使用负化学电离来鉴定[公式:见原文]和[公式:见原文]反应的以下硝酸盐产物:[(2 - 丁氧基乙氧基)(氧化)氨基]氧化酰胺和苄基硝酸盐。通过对衍生化反应产物进行质谱分析,并结合基于先前发表的[公式:见原文]气相机制的合理的2 - 丁氧基乙醇或[公式:见原文]反应机制,有助于阐明这些产物。

相似文献

1
2-Butoxyethanol and Benzyl Alcohol Reactions with the Nitrate Radical: Rate Coefficients and Gas-Phase Products.
Int J Chem Kinet. 2012 Dec;44(12):778-788. doi: 10.1002/kin.20726. Epub 2012 Jun 14.
2
Gas-phase chemistry of (alpha-terpineol with ozone and OH radical: rate constants and products.
Environ Sci Technol. 2005 Sep 15;39(18):6937-43. doi: 10.1021/es0481676.
4
Global peak alignment for comprehensive two-dimensional gas chromatography mass spectrometry using point matching algorithms.
J Bioinform Comput Biol. 2016 Dec;14(6):1650032. doi: 10.1142/S0219720016500323. Epub 2016 Sep 9.
5
Investigation of kinetics of phenyl radicals with ethyl formate in the gas phase using cavity ring-down spectroscopy and theoretical methodologies.
Photochem Photobiol Sci. 2021 Jul;20(7):859-873. doi: 10.1007/s43630-021-00053-7. Epub 2021 Jul 1.
7
Interpretation of negative-ion chemical ionization GC-MS and GC-MS/MS mass spectra of perfluorinated organic analyte derivatives: Consideration of reduction reactions in the gas phase.
J Chromatogr B Analyt Technol Biomed Life Sci. 2025 Mar 1;1253:124487. doi: 10.1016/j.jchromb.2025.124487. Epub 2025 Jan 28.
8
Removal kinetics for gaseous NO and SO by an aqueous NaClO solution mist in a wet electrostatic precipitator.
Environ Technol. 2017 Apr;38(7):835-843. doi: 10.1080/09593330.2016.1213770. Epub 2016 Jul 26.
9
What makes a reaction network "chemical"?
J Cheminform. 2022 Sep 19;14(1):63. doi: 10.1186/s13321-022-00621-8.
10
Sodium nitrate ingestion increases skeletal muscle nitrate content in humans.
J Appl Physiol (1985). 2017 Sep 1;123(3):637-644. doi: 10.1152/japplphysiol.01036.2016. Epub 2017 Jun 29.

本文引用的文献

1
Indoor measurements of the sum of the nitrate radical, NO3, and nitrogen pentoxide, N2O5 in Denmark.
Chemosphere. 2010 May;79(8):898-904. doi: 10.1016/j.chemosphere.2010.02.025. Epub 2010 Mar 20.
2
Contact allergens and irritants in household washing and cleaning products.
Contact Dermatitis. 2009 Dec;61(6):337-41. doi: 10.1111/j.1600-0536.2009.01647.x.
4
Cleaning products and air fresheners: emissions and resulting concentrations of glycol ethers and terpenoids.
Indoor Air. 2006 Jun;16(3):179-91. doi: 10.1111/j.1600-0668.2005.00414.x.
5
Chemical reactions among indoor pollutants: what we've learned in the new millennium.
Indoor Air. 2004;14 Suppl 7:184-94. doi: 10.1111/j.1600-0668.2004.00287.x.
6
Full-scale chamber investigation and simulation of air freshener emissions in the presence of ozone.
Environ Sci Technol. 2004 May 15;38(10):2802-12. doi: 10.1021/es030544b.
7
Atmospheric degradation of volatile organic compounds.
Chem Rev. 2003 Dec;103(12):4605-38. doi: 10.1021/cr0206420.
9
California residential air exchange rates and residence volumes.
J Expo Anal Environ Epidemiol. 1996 Jul-Sep;6(3):311-26.
10
Pulmonary lesions produced in A-strain mice by long-term exposure to peroxyacetyl nitrate.
Am Rev Respir Dis. 1969 Apr;99(4):565-74. doi: 10.1164/arrd.1969.99.4P1.565.

文献AI研究员

20分钟写一篇综述,助力文献阅读效率提升50倍。

立即体验

用中文搜PubMed

大模型驱动的PubMed中文搜索引擎

马上搜索

文档翻译

学术文献翻译模型,支持多种主流文档格式。

立即体验