Reactivity of Hydroxyl Radical in Nonaqueous Phases: Addition Reactions,The Journal of Physical Chemistry A

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Reactivity of Hydroxyl Radical in Nonaqueous Phases: Addition Reactions
The Journal of Physical Chemistry A ( IF 2.7 ) Pub Date : 2018-10-02 00:00:00 , DOI: 10.1021/acs.jpca.8b08463
Erica M. Johnson ₁ , Abygail R. Waggoner ₁ , Shijing Xia ₂ , Hoi Ling Luk ₂ , Christopher M. Hadad ₂ , James S. Poole ₁

Affiliation

The effect of ring substitution on the kinetics of reaction of arenes, heterocycles, and alkenes with hydroxyl radical is investigated in terms of reactivity and selectivity, using laser flash photolysis (LFP) in acetonitrile solution. The LFP data indicate that charge-transfer contributions in the transition state play an important role in dictating reactivity, and there is a correlation between the experimental and calculated ionization potentials of the arenes and alkenes and their respective reactivities. The reactivity observed for arenes in acetonitrile exhibits a much greater sensitivity toward substitution on the ring than in water, and therefore aqueous data cannot be used to predict reactivity in nonaqueous environments. Nonaqueous solution data may be predictable from gas phase data, and vice versa.

中文翻译：

非水相中羟基自由基的反应性：加成反应

使用激光闪光光解（LFP）在乙腈溶液中，从反应性和选择性方面研究了环取代对芳烃，杂环和烯烃与羟基自由基反应动力学的影响。LFP数据表明，过渡态中的电荷转移贡献在决定反应性方面起着重要作用，并且芳烃和烯烃的实验电离和计算电离电势与它们各自的反应性之间存在相关性。乙腈中的芳烃所观察到的反应性比在水中对环上的取代具有更大的敏感性，因此，水性数据不能用于预测非水环境中的反应性。非水溶液数据可以根据气相数据来预测，反之亦然。

更新日期：2018-10-02

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