XPS-INVESTIGATION OF INTRAMOLECULAR CHARGE TRANSFER IN POLYNITROCOMPOUNDS——ON THE ELECTRONIC STRUCTURES OF NITRODERIVATIVES OF BENZOFUROXANS |
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作者姓名: | 王建祺 廖支援 吴文辉 冯大明 |
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作者单位: | Department of Chemical Engineering,Beijing Institute of Technology,Department of Chemical Engineering,Beijing Institute of Technology,Department of Chemical Engineering,Beijing Institute of Technology,Department of Chemical Engineering,Beijing Institute of Technology Beijing 100081,PRC,Beijing 100081,PRC,Beijing 100081,PRC,Beijing 100081,PRC |
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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.
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