A Density-Functional Study of Rearrangements of Sulfur Ylides from the Sulfonium Salts with Allyl Groups on S Atom
スポンサーリンク
概要
- 論文の詳細を見る
The possible pathways in the rearrangements of sulfur ylides from sulfonium salts with allyl groups on S atom are supposed to be the [1, 4] sigmatropic, the [1, 2] Stevens, and the [2, 3] Sommelet-Hauser rearrangements. In order to clarify the real path of the rearrangement, theoretical calculations for possible intermediates and transition states have been carried out by B3LYP density functional calculations with the 6-31+G(d) basis set. This study revealed that the [2, 3] Sommelet-Hauser rearrangement via the unstable sulfur ylide is most favorable path compared with the other reaction paths supposed. The results of the calculations coincided with the experimental findings proceeding to the [2, 3] Sommelet-Hauser rearrangement.
- 中部大学の論文
著者
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Ando Fumio
Department Of Applied Chemistry
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纐纈 銃吾
Department of Applied Chemistry, College of Engineering, Chubu University
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OKAZAKI Yuichi
Graduate School of Engineering, Applied Chemistry
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KOKETSU Jugo
Department of Applied Chemistry
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Okazaki Yuichi
Graduate School Of Engineering Applied Chemistry
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岡崎 優一
Graduate School of Engineering, Applied Chemistry
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安藤 文雄
Department of Applied Chemistry
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