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<p></p><p>The molecular mechanism of the addition of 2,2,2-trifluorodiazoethane to 3-trifluoromethyl-2<i>H</i>-thiete 1,1-dioxide was investigated on the basis of the wb97xd/6-311G(d,p) (PCM) computational study. It was found that this process exhibits a pronounced nonpolar nature. From the mechanistic point of view the reaction should be regarded as a domino multistep process including four elemental pseudocyclic reactions, initiated by a full regio- and stereoselective (3+2) cycloaddition.</p>

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Mechanistic insight on the addition of 2,2,2-trifluorodiazoethane to 3-trifluoromethyl-2H-thiete 1,1-dioxide

  • 期刊论文

  • 发表日期：

    2025年8月1日

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  • Radomir Jasiński

摘要

The molecular mechanism of the addition of 2,2,2-trifluorodiazoethane to 3-trifluoromethyl-2H-thiete 1,1-dioxide was investigated on the basis of the wb97xd/6-311G(d,p) (PCM) computational study. It was found that this process exhibits a pronounced nonpolar nature. From the mechanistic point of view the reaction should be regarded as a domino multistep process including four elemental pseudocyclic reactions, initiated by a full regio- and stereoselective (3+2) cycloaddition.