OH-Initiated Photooxidations of 1-Pentene and 2-Methyl-2-propen-1-ol: Mechanism and Yields of the Primary Carbonyl Products

被引：3
作者：
Peirone, Silvina A. [1 ,2 ]
Cometto, Pablo M. [1 ,2 ]
Lane, Silvia I. [1 ,2 ]
机构：
[1] Univ Nacl Cordoba, Inst Invest Fisicoquim Cordoba INFIQC, CONICET, RA-5000 Cordoba, Argentina
[2] Univ Nacl Cordoba, Ctr Laser Ciencias Mol, Dept Fisicoquim, Fac Ciencias Quim, RA-5000 Cordoba, Argentina
来源：
CHEMPHYSCHEM | 2014年 / 15卷 / 17期
关键词：
1-pentene; photooxidation; product yields; radicals; solid-phase micro extraction; GAS-PHASE REACTIONS; UNSATURATED ALCOHOLS; RATE CONSTANTS; ATMOSPHERIC CHEMISTRY; RATE COEFFICIENTS; METHYL NITRITE; RADICALS; 2-METHYL-3-BUTEN-2-OL; NITRATE; SERIES;
D O I：
10.1002/cphc.201402159
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
The products of the gas-phase reactions of OH radicals with 1-pentene and 2-methyl-2-propen-1-ol (221MPO) at T=298 +/- 2 K and atmospheric pressure were investigated by using a 4500 L atmospheric simulation chamber that was built especially for this work. The molar yield of butyraldehyde was 0.74 +/- 0.12 mol for the reaction of 1-pentene. This work provides the first product molar yield determination of formaldehyde (0.82 +/- 0.12 mol), 1-hydroxypropan-2-one (0.84 +/- 0.13 mol), and methacrolein (0.078 +/- 0.012 mol) from the reaction of 221MPO with OH radicals. The mechanism of this reaction is discussed in relation to the experimental results. Additionally, taking into consideration the complex mechanism, the rate coefficients of the reactions of OH with formaldehyde, 1-hydroxypropan-2-one, and methacrolein were derived at atmospheric pressure and T=298 +/- 2 K.; the obtained values were (8.9 +/- 1.6)x10(-12), (2.4 +/- 1.4)x10(-12), and (22.9 +/- 2.3)x10(-12) cm(3) molecule(-1) s(-1), respectively.
引用
收藏
页码：3848 / 3854
页数：7
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