Art

J-GLOBAL ID：201302200159321634   Reference number：13A1558785

Reaction mechanism in the mechanochemical synthesis of dibenzophenazine: application of vibronic coupling density analysis

ジベンゾフェナジンのメカノ化学合成における反応機構 振電相互作用密度解析の応用

Author (5)： HARUTA Naoki (Dep. of Molecular Engineering, Graduate School of Engineering, Kyoto Univ., Nishikyo-ku, Kyoto 615-8510, JPN) ,  SATO Tohru (Dep. of Molecular Engineering, Graduate School of Engineering, Kyoto Univ., Nishikyo-ku, Kyoto 615-8510, JPN) ,  SATO Tohru (Unit of Elements Strategy Initiative for Catalysts & Batteries, Kyoto Univ., Nishikyo-ku, Kyoto 615-8510, JPN) ,  TANAKA Kazuyoshi (Dep. of Molecular Engineering, Graduate School of Engineering, Kyoto Univ., Nishikyo-ku, Kyoto 615-8510, JPN) ,  BARON Michel (Univ. de Toulouse, Mines-Albi, CNRS UMR 5302, Centre Rapsodee, Campus Jarlard, 81013 Albi Cedex 09, FRA)
Material： Tetrahedron Letters  (Tetrahedron Lett)
Volume： 54  Issue： 44  Page： 5920-5923  Publication year： Oct. 30, 2013 
JST Material Number： E0366A  ISSN： 0040-4039  Document type： Article
Article type： 短報  Country of issue： United Kingdom (GBR)  Language： ENGLISH (EN)

Thesaurus term： chemical synthesis ,  *mechanochemistry ,  *vibronic interaction ,  electron density ,  HOMO ,  LUMO ,  frontier orbital ,  nitrogen heterocyclic compound ,  polynuclear aromatic compound ,  *reaction mechanism ,  reactivity ,  density functional method ,  aromatic amine ,  diamine ,  primary amine ,  quinone ,  Phenazines
Semi thesaurus term： Phenazines

JST classification (2)： Pyrazines  (CF07104N) ,  Electronic structure of molecules  (BH05010Q)

Substance index (3)： o-Phenylenediamine ,  Dibenzo(a,c)phenazine ,  Phenanthrenequinone

Terms in the title (5)： メカノ化学合成 ,  振電相互作用 ,  密度 ,  解析 ,  応用