Kinetic study of the gas-phase reactions of Cl radicals with 3-pentanone and 3-hexanone
Kinetic study of the gas-phase reactions of Cl radicals with 3-pentanone and 3-hexanone
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Cl自由基与3-戊酮和3-己酮气相反应的动力学研究
DOI：
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发表时间：
2004
期刊：
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通讯作者：
E. Martínez
中科院分区：
文献类型：
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作者：
A. Aranda;Y. D. Mera;A. Rodriguez;and Lorena Morales;E. Martínez
用放电流动质谱技术测定了Cl原子与3-戊酮(1)和3-己酮(2)在260 ~ 333 K、总压为1 Torr条件下气相反应的绝对速率系数。利用速率常数k(1)和k(2)在不同温度下的数据推导出Arrhenius表达式，k(1) =（1.5±0.7）× 10-10 exp[(−281±138)/T] cm3分子-1 s-1， k(2) =（1.6±0.4）× 10-9 exp[(−884±69)/T] cm3分子-1 s-1。在298k和1torr下，研究了这两个反应的产物。发现反应1和反应2通过抽象机制进行，分别产生HCl + C5H9(O)和HCl + C6H11(O)。在298 K和1 Torr条件下，提取通道的分支比为0.97±0.10，反应1为0.98±0.08。所得结果与以往的研究结果有关，并讨论了这两种反应的机理和对大气的影响。
The discharge flow mass spectrometric technique has been used to determine the absolute rate coefficients of the gas-phase reactions of Cl atoms with 3-pentanone (1) and 3-hexanone (2) in the temperature range 260−333 K and at a total pressure of 1 Torr. The rate constant data (k(1) and k(2) at different temperatures) were used to derive the Arrhenius expressions, k(1) = (1.5 ± 0.7) × 10-10 exp[(−281 ± 138)/T] cm3 molecule-1 s-1 and k(2) = (1.6 ± 0.4) × 10-9 exp[(−884 ± 69)/T] cm3 molecule-1 s-1. At 298 K and 1 Torr, the products of both reactions have been studied. Reactions 1 and 2 have been found to proceed through an abstraction mechanism, leading to HCl + C5H9(O) and HCl + C6H11(O), respectively. The branching ratio for the abstraction channel was determined at 298 K and 1 Torr, as 0.97 ± 0.10 for reaction 1 and 0.98 ± 0.08 for reaction 2. The results obtained are related to previous studies, and the mechanism and atmospheric implications for both reactions are discussed.