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2-Butoxyethanol and Benzyl Alcohol Reactions with the Nitrate Radical: Rate Coefficients and Gas-Phase Products.
International Journal of Chemical Kinetics ( IF 1.5 ) Pub Date : 2012-06-14 , DOI: 10.1002/kin.20726 Joel C Harrison 1 , J R Wells 1
International Journal of Chemical Kinetics ( IF 1.5 ) Pub Date : 2012-06-14 , DOI: 10.1002/kin.20726 Joel C Harrison 1 , J R Wells 1
Affiliation
The bimolecular rate coefficients k
and k
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 cm3 molecule−1 s−1 were observed for k
and k
, respectively. In addition, the products of 2‐butoxyethanol + NO3• and benzyl alcohol + NO3• 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 2‐butoxyethanol + NO3• reaction: hydroxyacetaldehyde, 3‐hydroxypropanal, 4‐hydroxybutanal, butoxyacetaldehyde, and 4‐(2‐oxoethoxy)butan‐2‐yl nitrate were the derivatized products observed. For the benzyl alcohol + NO3• 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 2‐butoxyethanol + NO3• and benzyl alcohol + NO3•, respectively. The elucidation of these products was facilitated by mass spectrometry of the derivatized reaction products coupled with a plausible 2‐butoxyethanol or benzyl alcohol + NO3• reaction mechanisms based on previously published volatile organic compound + NO3• gas‐phase mechanisms. © 2012 Wiley Periodicals, Inc. 1 This article is a U.S. Government work and, as such, is in the public domain of the United States of America. © 2012 Wiley Periodicals, Inc. Int J Chem Kinet 44: 778–788, 2012
中文翻译：
与硝酸根的2-丁氧基乙醇和苄醇反应：速率系数和气相产物。
使用相对速率技术在（297±3）K和1个大气压下测量双分子速率系数k和k。对于k和k，分别观察到（2.7±0.7）和（4.0±1.0）×10 -15 cm 3分子-1 s -1的值。此外，还研究了2-丁氧基乙醇+ NO 3 •和苯甲醇+ NO 3 •气相反应的产物。衍生剂O-（2,3,4,5,6-五氟苄基）羟胺和N，O使用双（三甲基甲硅烷基）三氟乙酰胺和气相色谱质谱（GC / MS）鉴定反应产物。对于2-丁氧基乙醇+ NO 3 •反应：观察到了衍生化的产物羟乙醛，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。对于苯甲醇+ NO 3 •反应：苯甲醛（（C 6 H 5）C（= O）H）是唯一观察到的衍生产物。负化学电离可用于鉴定以下硝酸盐产物：[（2-丁氧基乙氧基）（氧化）氨基]氧化亚胺和硝酸苄酯，用于2-丁氧基乙醇+ NO 3 •和苯甲醇+ NO 3 •， 分别。衍生化反应产物的质谱结合可能的2-丁氧基乙醇或苄醇+ NO 3 •反应机理（基于先前公布的挥发性有机化合物+ NO 3 •气相机理），有助于阐明这些产物。©2012 Wiley Periodicals，Inc.1本文是美国政府的工作，因此属于美利坚合众国的公共领域。 分级为4 +©2012 Wiley Periodicals，Inc. Int J Chem Kinet 44：778–788，2012
更新日期：2012-06-14
and k 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 cm3 molecule−1 s−1 were observed for k and k, respectively. In addition, the products of 2‐butoxyethanol + NO3• and benzyl alcohol + NO3• 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 2‐butoxyethanol + NO3• reaction: hydroxyacetaldehyde, 3‐hydroxypropanal, 4‐hydroxybutanal, butoxyacetaldehyde, and 4‐(2‐oxoethoxy)butan‐2‐yl nitrate were the derivatized products observed. For the benzyl alcohol + NO3• 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 2‐butoxyethanol + NO3• and benzyl alcohol + NO3•, respectively. The elucidation of these products was facilitated by mass spectrometry of the derivatized reaction products coupled with a plausible 2‐butoxyethanol or benzyl alcohol + NO3• reaction mechanisms based on previously published volatile organic compound + NO3• gas‐phase mechanisms. © 2012 Wiley Periodicals, Inc. 中文翻译：
与硝酸根的2-丁氧基乙醇和苄醇反应：速率系数和气相产物。
使用相对速率技术在（297±3）K和1个大气压下测量双分子速率系数k
和k。对于k和k，分别观察到（2.7±0.7）和（4.0±1.0）×10 -15 cm 3分子-1 s -1的值。此外，还研究了2-丁氧基乙醇+ NO 3 •和苯甲醇+ NO 3 •气相反应的产物。衍生剂O-（2,3,4,5,6-五氟苄基）羟胺和N，O使用双（三甲基甲硅烷基）三氟乙酰胺和气相色谱质谱（GC / MS）鉴定反应产物。对于2-丁氧基乙醇+ NO 3 •反应：观察到了衍生化的产物羟乙醛，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。对于苯甲醇+ NO 3 •反应：苯甲醛（（C 6 H 5）C（= O）H）是唯一观察到的衍生产物。负化学电离可用于鉴定以下硝酸盐产物：[（2-丁氧基乙氧基）（氧化）氨基]氧化亚胺和硝酸苄酯，用于2-丁氧基乙醇+ NO 3 •和苯甲醇+ NO 3 •， 分别。衍生化反应产物的质谱结合可能的2-丁氧基乙醇或苄醇+ NO 3 •反应机理（基于先前公布的挥发性有机化合物+ NO 3 •气相机理），有助于阐明这些产物。©2012 Wiley Periodicals，Inc.
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