Reactivity of allylic hydrogen in cyclohexadiene towards OH radicals
Reactivity of allylic hydrogen in cyclohexadiene towards OH radicals
复制标题
环己二烯中烯丙基氢对 OH 自由基的反应活性
DOI：
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发表时间：
1984
期刊：
影响因子：
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通讯作者：
T. Ohta
中科院分区：
文献类型：
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作者：
T. Ohta
使用 H2O2 和 CH3ONO 作为 OH 自由基源测定 1,4- 和 1,3-环己二烯与 OH 自由基在氧气存在下反应中苯的产率。在H2O2和CH3ONO体系中，1,4-环己二烯制苯的产率为15.3%，1,3-环己二烯制苯的产率为8.9%。根据所得产率，环己二烯中每个 CH 烯丙基氢夺取的速率常数确定为 3.8 × 10−12 cm3 molecular−1 s−1。通过应用获得的速率常数，估计 1-丁烯和 1-戊烯的夺氢占总反应的支化率为 (25–14)%。该结果与 Biermann、Harris 和 Pitts [4] 使用放电流光电离质谱仪直接测定的支化比非常一致。
The yield of benzene in the reaction of 1,4- and 1,3-cyclohexadiene with OH radicals in the presence of oxygen was determined using H2O2 and CH3ONO as OH radical sources. Both in the H2O2 and the CH3ONO systems, the yield of benzene from 1,4-cyclohexadiene was 15.3% and the yield from 1,3-cyclohexadiene was 8.9%. On the basis of the obtained yields, the rate constant for allylic hydrogen abstraction per CH in cyclohexadiene was determined to be 3.8 × 10−12 cm3 molecule−1 s−1. The branching ratio of the hydrogen abstraction to overall reaction for 1-butene and 1-pentene was estimated to be (25–14)% by applying the obtained rate constants. The result was in good agreement with the branching ratio determined directly by use of the discharge flow photoionization mass spectrometer by Biermann, Harris, and Pitts [4].