Full metadata record
DC FieldValueLanguage
dc.contributor.authorIwakura, Izumien_US
dc.contributor.authorKaneko, Yuen_US
dc.contributor.authorHayashi, Shigehikoen_US
dc.contributor.authorYabushita, Atsushien_US
dc.contributor.authorKobayashi, Takayoshien_US
dc.date.accessioned2014-12-08T15:29:31Z-
dc.date.available2014-12-08T15:29:31Z-
dc.date.issued2013-02-01en_US
dc.identifier.issn1420-3049en_US
dc.identifier.urihttp://dx.doi.org/10.3390/molecules18021995en_US
dc.identifier.urihttp://hdl.handle.net/11536/21232-
dc.description.abstractChemical 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.en_US
dc.language.isoen_USen_US
dc.subjectClaisen rearrangementen_US
dc.subject5-fs pulse laseren_US
dc.subjectreaction mechanismen_US
dc.titleThe Reaction Mechanism of Claisen Rearrangement Obtained by Transition State Spectroscopy and Single Direct-Dynamics Trajectoryen_US
dc.typeArticleen_US
dc.identifier.doi10.3390/molecules18021995en_US
dc.identifier.journalMOLECULESen_US
dc.citation.volume18en_US
dc.citation.issue2en_US
dc.citation.spage1995en_US
dc.citation.epage2004en_US
dc.contributor.department電子物理學系zh_TW
dc.contributor.departmentDepartment of Electrophysicsen_US
dc.identifier.wosnumberWOS:000315400600050-
dc.citation.woscount1-
Appears in Collections:Articles


Files in This Item:

  1. 000315400600050.pdf

If it is a zip file, please download the file and unzip it, then open index.html in a browser to view the full text content.