The Reaction Mechanism of Claisen Rearrangement Obtained by Transition State Spectroscopy and Single Direct-Dynamics Trajectory

DOI Web Site PubMed 被引用文献2件 参考文献38件
  • Izumi Iwakura
    Innovative Use of Light and Materials/Life, PREST, JST, 4-1-8 Honcho, Kawaguchi, Saitama 332-0012, Japan
  • Yu Kaneko
    Department of Chemistry, Graduate School of Science, Kyoto University, Kitashirakawa, Sakyo, Kyoto 606-8502, Japan
  • Shigehiko Hayashi
    Department of Chemistry, Graduate School of Science, Kyoto University, Kitashirakawa, Sakyo, Kyoto 606-8502, Japan
  • Atsushi Yabushita
    Department of Electrophysics, National Chiao-Tung University, Hsinchu 300, Taiwan
  • Takayoshi Kobayashi
    University of Electro-Communications, 1-5-1 Chofugaoka, Chofu, Tokyo 182-8585, Japan

書誌事項

公開日
2013-02-04
資源種別
journal article
権利情報
  • https://creativecommons.org/licenses/by/3.0/
DOI
  • 10.3390/molecules18021995
公開者
MDPI AG

説明

<jats:p>Chemical bond breaking and formation during chemical reactions can be observed using “transition state spectroscopy”. Comparing the measurement result of the transition state spectroscopy with the simulation result of single direct-dynamics trajectory, we have elucidated the reaction dynamics of Claisen rearrangement of allyl vinyl ether. Observed the reaction of the neat sample liquid, we have estimated the time constants of transformation from straight-chain structure to aromatic-like six-membered ring structure forming the C1-C6 bond. The result clarifies that the reaction proceeds via three steps taking longer time than expected from the gas phase calculation. This finding provides new hypothesis and discussions, helping the development of the field of reaction mechanism analysis.</jats:p>

収録刊行物

  • Molecules

    Molecules 18 (2), 1995-2004, 2013-02-04

    MDPI AG

被引用文献 (2)*注記

もっと見る

参考文献 (38)*注記

もっと見る

関連プロジェクト

もっと見る

キーワード

詳細情報 詳細情報について

問題の指摘

ページトップへ