XPS-INVESTIGATION OF INTRAMOLECULAR CHARGE TRANSFER IN POLYNITROCOMPOUNDS——ON THE ELECTRONIC STRUCTURES OF NITRODERIVATIVES OF BENZOFUROXANS  

作　　者：王建祺 廖支援 吴文辉 冯大明 

机构地区：[1]Department of Chemical Engineering, Beijing Institute of Technology

出　　处：《Science China Chemistry》1991年第2期141-151,共11页中国科学（化学英文版）

摘　　要：Ten benzofuroxans and their derivatives have been systematically investigated by XPStechnique. A fairly good correlation between E_b~* and q_N on the- NO_2 group has been wellestablished. Its validity as a criterion for checking intramolecular CT interaction within mol-ecules has been placed on a theoretical basis. In addition, XPS data can give an impetus for the determination of the conformationalanalysis of the coordinated N→O bond with the aid of the concept of pseudo - 'NO_2' group.Ten benzofuroxans and their derivatives have been systematically investigated by XPStechnique. A fairly good correlation between E_b^* and q_N on the- NO₂ group has been wellestablished. Its validity as a criterion for checking intramolecular CT interaction within mol-ecules has been placed on a theoretical basis. In addition, XPS data can give an impetus for the determination of the conformationalanalysis of the coordinated N→O bond with the aid of the concept of pseudo - ’NO₂’ group.

关 键 词：XPS ESCA INTRAMOLECULAR charge transfer polynitrocompound BENZOFUROXAN 

分 类 号：O6[理学—化学]