ダウンロード数: 374
このアイテムのファイル:
ファイル | 記述 | サイズ | フォーマット | |
---|---|---|---|---|
s0219633617500559.pdf | 369.17 kB | Adobe PDF | 見る/開く |
タイトル: | Dynamic correlation diagrams for sigmatropic reactions based on orbital phase conservation theory |
著者: | Nohira, Hiroyuki Nohira, Toshiyuki https://orcid.org/0000-0002-4053-554X (unconfirmed) |
著者名の別形: | 野平, 俊之 |
キーワード: | Bond theory dynamic correlation diagram orbital phase conservation theory sigmatropic rearrangement |
発行日: | Sep-2017 |
出版者: | World Scientific Publishing |
誌名: | Journal of Theoretical and Computational Chemistry |
巻: | 16 |
号: | 6 |
論文番号: | 1750055 |
抄録: | For sigmatropic reactions, such as [1, 3] and [1, 5] hydrogen shifts, the Cope and Claisen rearrangements, and the Berson–Nelson rearrangement, no correlation diagrams consistent with the classical electronic formulas have been reported. Here, we report dynamic correlation diagrams for these sigmatropic reactions based on orbital phase conservation theory. The diagrams are consistent with both the selection rules of sigmatropic reactions proposed by Woodward and Hoffmann and classical electronic formulas. |
著作権等: | © The Author(s) This is an Open Access article published by World Scientific Publishing Company. It is distributed under the terms of the Creative Commons Attribution 4.0 (CC-BY) License. Further distribution of this work is permitted, provided the original work is properly cited. |
URI: | http://hdl.handle.net/2433/227300 |
DOI(出版社版): | 10.1142/S0219633617500559 |
出現コレクション: | 学術雑誌掲載論文等 |
このリポジトリに保管されているアイテムはすべて著作権により保護されています。