论文标题
通过应用两种类型的高价值扭曲模型来预测高价值碘试剂的正确机制：顶端扭曲和赤道扭曲
Predicting the Right Mechanism for Hypervalent Iodine Reagents by Applying Two Types of Hypervalent Twist Models: Apical Twist and Equatorial Twist
论文作者
论文摘要
由于高价值扭曲随后消除了，是碘过度碘试剂的一般反应模式，因此有关高价值扭曲步骤的机械研究为实验提供了重要的指导。我们以前的工作表明，有两种类型的高价值扭曲模型，即顶端扭曲和赤道扭曲。我们应用了两个高价值扭曲模型来解释两种重要的亲电三氟甲基甲基试剂（Togni I和togni II）的异构机制。据我们所知，关于两种试剂之间不同扭曲模式的详细研究较少，这对于预测正确的反应机制非常重要，尤其是很好地了解反应性和稳定性的差异。在这里，我们通过赤道扭曲成功地识别了Togni II的异构化途径，并建议应考虑不同的高价值扭曲模型来预测使用高价值碘试剂的正确机制。
Since the hypervalent twist followed by reductive elimination is a general reaction pattern for hypervalent iodine reagents, mechanistic studies about the hypervalent twist step provide significant guidance for experiments. Our previous work showed there are two types of hypervalent twist models, i.e. apical twist and equatorial twist. We applied both hypervalent twist models to explain the isomerization mechanism of two important electrophilic trifluoromethylating reagents, Togni I and Togni II. To the best of our knowledge, there are less detailed studies about the different twist modes between both reagents, which are important to predict the right reaction mechanism and especially, understand well the differences of reactivity and stability. Here, we successfully identified Togni II's isomerization pathway via equatorial twist, and suggested different hypervalent twist models should be considered to predict the right mechanisms of reactions with hypervalent iodine reagents.
