Quantum-Chemical Investigation of Spectral-Luminescent and Physical-Chemical Properties of Aminopyridines

被引：0
|
作者：
V. Ya. Artyukhov
A. V. Morev
Yu. P. Morozova
机构：
[1] Tomsk State University,
来源：
Russian Physics Journal | 2003年 / 46卷 / 4期
关键词：
Nitrogen; Absorption Spectrum; Nitrogen Atom; Electronic Transition; Field Effect;
D O I：
10.1023/A:1025788212515
中图分类号：
学科分类号：
摘要：
The spectral-luminescent properties of ortho-, meta-, and paraaminopyridines are examined using the method of intermediate neglect of differential overlap. The absorption spectra are interpreted. It is shown that the long wavelength band of all aminopyridines is formed by several electronic transitions of various nature and intensity. The nonequivalence of the NH-bonds of an amino group in o-aminopyridine is estimated from an analysis of bond populations and their changes under excitation. It is suggested that the nonequivalence is caused by the “field effect” due to the influence of an excess charge of the nitrogen atom in the orthoposition on the distribution of electron density in the region of localization of the amino group.
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页码：427 / 431
页数：4
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