Art

J-GLOBAL ID：202002289384407182   Reference number：20A0525079

Theoretical study on the reaction mechanism of imidazole-catalyzed phenol-epoxy ring-opening reaction and the evaluation of catalyst performance

イミダゾール触媒によるフェノール-エポキシ開環反応の反応機構と触媒性能の評価に関する理論的研究【JST・京大機械翻訳】

Author (3)： Mitani Ryusuke (Graduate School of Sciences and Technology for Innovation, Yamaguchi University, 2-16-1 Tokiwadai, Ube, Yamaguchi 755-8611, Japan) ,  Yamamoto Hidetoshi (Graduate School of Sciences and Technology for Innovation, Yamaguchi University, 2-16-1 Tokiwadai, Ube, Yamaguchi 755-8611, Japan) ,  Sumimoto Michinori (Graduate School of Sciences and Technology for Innovation, Yamaguchi University, 2-16-1 Tokiwadai, Ube, Yamaguchi 755-8611, Japan)
Material： Chemical Physics Letters  (Chem Phys Lett)
Volume： 742  Page： Null  Publication year： 2020 
JST Material Number： B0824A  ISSN： 0009-2614  Document type： Article
Article type： 原著論文  Country of issue： Netherlands (NLD)  Language： ENGLISH (EN)

Abstract/Point： The reaction mechanism of 2-me...

Register(free) or Log In to access     To see more with JDream III (charged).   {{ this.onShowAbsJLink("http://jdream3.com/lp/jglobal/index.html?docNo=20A0525079&from=J-GLOBAL&jstjournalNo=B0824A") }}

Thesaurus term： *catalyst ,  *catalytic activity ,  *ring-opening reaction ,  HOMO ,  density functional method ,  rate-limiting ,  free energy ,  nucleophilic reagent ,  *reaction mechanism ,  Epoxy Compounds ,  nitrogen atom ,  nitrogen heterocyclic compound
Semi thesaurus term： 失活 , 【Automatic Indexing@JST】

Author keywords (4)： Density functional theory ,  Phenol-epoxide ring-opening reaction ,  Imidazole ,  Catalyst

JST classification (4)： Electronic structure of molecules  (BH05010Q) ,  Catalytic reactions in general  (CB06080F) ,  Other catalysts  (CB06123Z) ,  Photochemical reactions  (CB08020F)

Substance index (1)： Imidazole

Terms in the title (8)： イミダゾール ,  触媒 ,  フェノール ,  開環反応 ,  触媒性能 ,  評価 ,  理論 ,  研究