REACTIONS OF OH AND NO3 RADICALS WITH PHENOL, CRESOLS, AND 2-NITROPHENOL AT 296-K+-2-K
REACTIONS OF OH AND NO3 RADICALS WITH PHENOL, CRESOLS, AND 2-NITROPHENOL AT 296-K+-2-K
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DOI：
10.1021/es00031a018
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发表时间：
1992-07-01
影响因子：
11.4
通讯作者：
AREY, J
中科院分区：
文献类型：
--
作者：
ATKINSON, R;ASCHMANN, SM;AREY, J
本文研究了NO（x）存在下，OH和NO_3自由基与苯酚和甲酚气相反应生成的硝基苯酚产物，测定了296 ± 2K时NO_3自由基与苯酚、甲酚和2-硝基苯酚反应的速率常数。 获得的速率常数为（以cm 3分子-1s-1计）苯酚，3.92 x 10（-12）;邻甲酚，1.37 x 10（-11）;间甲酚，9.74 x 10（-12）;对甲酚，1.07 x 10（-11）;和2-硝基苯酚，< 2 x 10（-14）。 然而，无法获得二甲酚的可重复数据。 从OH和NO3自由基反应中观察到相同的硝基苯酚异构体，从OH和NO3自由基反应中观察到的硝基苯酚产物及其各自的产率如下：从苯酚，2-硝基苯酚的产率为0.067 +/- 0.015和0.251 +/- 0.051;由邻甲酚制得6-甲基-2-硝基苯酚，产率分别为0.051 ± 0.015和0.128 ± 0.028;由间甲酚、产率为0.016 +/- 0.010和0.168 +/- 0.029的3-甲基-2-硝基苯酚和产率约为0.016和0.196 +/- 0.036的5-甲基-2-硝基苯酚;从对甲酚得到4-甲基-2-硝基苯酚，产率为0.10 +/-0.04和0.74 +/-0.16。 这些动力学和产品数据与文献数据进行了比较，并讨论了反应机理。
The nitrophenol products from the gas-phase reactions of OH and NO3 radicals with phenol and the cresols in the pressence of NO(x) have been investigated and rate constants for the reactions of the NO3 radical with phenol, the cresols, and 2-nitrophenol determined at 296 +/- 2 K. The rate constants obtained were (in cm3 molecule-1 s-1) phenol, 3.92 x 10(-12); o-cresol, 1.37 x 10(-11); m-cresol, 9.74 x 10(-12); p-cresol, 1.07 x 10(-11); and 2-nitrophenol, < 2 x 10(-14). Reproducible data could not, however, be obtained for the dimethylphenols. Identical nitrophenol isomers were observed from the OH and NO3 radical reactions, and the nitrophenol products observed and their respective yields from the OH and NO3 radical reactions were the following: from phenol, 2-nitrophenol with yields of 0.067 +/- 0.015 and 0.251 +/- 0.051; from o-cresol, 6-methyl-2-nitrophenol with yields of 0.051 +/- 0.015 and 0.128 +/- 0.028; from m-cresol, 3-methyl-2-nitrophenol with yields of 0.016 +/- 0.010 and 0.168 +/- 0.029, and 5-methyl-2-nitrophenol with yields of approximately 0.016 and 0.196 +/- 0.036; and from p-cresol, 4-methyl-2-nitrophenol with yields of 0.10 +/- 0.04 and 0.74 +/- 0.16. These kinetic and product data are compared with the literature data, and the reaction mechanisms are discussed.