Carissan Yannick, Nava Paola, Tuccio Béatrice, Commeiras Laurent, Parrain Jean-Luc
Aix Marseille Univ, CNRS, Centrale Marseille, iSm2, Marseille, France.
Aix Marseille Univ, CNRS, ICR, Marseille, France.
Phys Chem Chem Phys. 2017 Jan 25;19(4):3409-3413. doi: 10.1039/c6cp07923g.
The proposal and the comments made by Korth et al. on a biradical intermediate along the isomerization path of the reaction of trans-1,2-tert-butyldimethyldisilyloxybenzocyclobutene 1 with dioxygen are unsuitable in our case. The mechanism scenario that we proposed is in agreement with our experimental observations. Moreover, new calculations were able to give an answer to the crucial question, "is the biradical an intermediate or a transition state?" together with the localization of the two radicals. This full article is a response to the "Comment on "trans-1,2-Disiloxybenzocyclobutene, an adequate partner for the auto-oxidation: EPR/spin trapping and theoretical studies" by J. Drujon et al., Phys. Chem. Chem. Phys. 2014, 16, 7513".
Korth等人针对反式-1,2-叔丁基二甲基二硅氧基苯并环丁烯1与氧气反应异构化路径上的双自由基中间体所提出的建议及评论,在我们的案例中并不适用。我们所提出的机理方案与我们的实验观察结果相符。此外,新的计算能够回答关键问题,即“双自由基是中间体还是过渡态?”,同时还能确定两个自由基的位置。这篇完整的文章是对J. Drujon等人发表于《物理化学化学物理》2014年第16卷第7513页的“关于‘反式-1,2-二硅氧基苯并环丁烯,自动氧化的合适伙伴:EPR/自旋捕获和理论研究’的评论”的回应。