Equilibria and Kinetics Involving Aqueous BrCl·–

IF 4.3 Q1 ENVIRONMENTAL SCIENCES ACS ES&T water Pub Date : 2025-04-03 DOI:10.1021/acsestwater.5c00071
David M. Stanbury*, 
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Abstract

The aqueous radical anion BrCl·– is frequently invoked in mechanisms describing the chemistry of advanced oxidation processes and other environmental situations. There are at least 58 publications with mechanisms involving this species where the rate constants assigned to the steps involving BrCl·– yield reversible loops with loop products that are in serious violation of the principle of detailed balancing. Here, we summarize these violations, identify their origins, and provide suitable corrections that do not violate the principle of detailed balancing.

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水溶液中BrCl·-的平衡和动力学
水基阴离子BrCl·-在描述高级氧化过程和其他环境情况的化学机制中经常被调用。至少有58篇涉及该物种的机制的出版物,其中分配给涉及BrCl·-的步骤的速率常数产生具有环路产物的可逆环路,这严重违反了详细平衡原则。在这里,我们总结了这些违规行为,确定了它们的来源,并提供了不违反详细平衡原则的适当纠正。
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