標題: The Reaction Mechanism of Claisen Rearrangement Obtained by Transition State Spectroscopy and Single Direct-Dynamics Trajectory
作者: Iwakura, Izumi
Kaneko, Yu
Hayashi, Shigehiko
Yabushita, Atsushi
Kobayashi, Takayoshi
電子物理學系
Department of Electrophysics
關鍵字: Claisen rearrangement;5-fs pulse laser;reaction mechanism
公開日期: 1-二月-2013
摘要: 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 C-1-C-6 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.
URI: http://dx.doi.org/10.3390/molecules18021995
http://hdl.handle.net/11536/21232
ISSN: 1420-3049
DOI: 10.3390/molecules18021995
期刊: MOLECULES
Volume: 18
Issue: 2
起始頁: 1995
結束頁: 2004
顯示於類別:期刊論文


文件中的檔案:

  1. 000315400600050.pdf