Vibrational spectra of trinitromethane derivatives

被引：0
|
作者：
V. A. Shlyapochnikov
D. V. Levchenkov
A. B. Kharitonkin
机构：
[1] Russian Academy of Sciences,N. D. Zelinsky Institute of Organic Chemistry
来源：
Russian Chemical Bulletin | 2001年 / 50卷
关键词：
trinitromethane derivatives; quantum-chemical calculations; density functional calculations; force fields; vibrational spectra; normal coordinate analysis;
D O I：
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学科分类号：
摘要：
Spectroscopic parameters of trinitromethane derivatives RC(NO2)3 (R = F, Cl, Br, I, NC, NF2, N3) were determined. Vibrational frequencies and modes were calculated and the assignment of experimental spectra was performed. Spectral features due to the mutual influence of the C(NO2)3 group and other atomic groups and particular atoms were revealed.
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页码：1173 / 1180
页数：7
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