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

XPS-INVESTIGATION OF INTRAMOLECULAR CHARGE TRANSFER IN POLYNITROCOMPOUNDS——ON THE ELECTRONIC STRUCTURES OF NITRODERIVATIVES OF BENZOFUROXANS
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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. Ten benzofuroxans and their derivatives have been systematically investigated by XPStechnique. A fairly good correlation between E<sub>b</sub><sup>*</sup> and q<sub>N</sub> on the- NO<sub>2</sub> 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<sub>2</sub>’ group.
出处 《Science China Chemistry》 SCIE EI CAS 1991年第2期141-151,共11页 中国科学(化学英文版)
关键词 XPS ESCA INTRAMOLECULAR charge transfer polynitrocompound BENZOFUROXAN XPS ESCA intramolecular charge transfer polynitrocompound benzofuroxan
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