Synthesis and Infrared Spectra Computation of Sterically Congested 2,2-Disubstituted Indane-1,3-dione Derivatives

被引：0
|
作者：
Seyed Mohammad Shoaei [1 ]
Ali Reza Kazemizadeh [1 ]
Ali Ramazani [1 ]
机构：
[1] Department of Chemistry,Islamic Azad University,Zanjan Branch
来源：
Chinese Journal of Structural Chemistry | 2011年 / 30卷 / 04期
关键词：
vibrational frequency; DFT; HF; FT-IR spectra; 2-disubstituted indane-1; 3-dione; isocyanide;
D O I：
10.14102/j.cnki.0254-5861.2011.04.017
中图分类号：
O621.3 [有机合成化学];
学科分类号：
070303 ; 081704 ;
摘要：
Sterically congested 2,2-disubstituted indane-1,3-dione derivatives have been syn-thesized and characterized by 1H NMR,13C NMR,FT-IR and elemental analysis.The B3LYP/HF calculations for computation of IR spectra have been carried out for the title compounds at the 6-31G and 6-311++G basis set levels.Predicted vibrational frequencies have been assigned and compared with the experimental FT-IR spectra and they are supported each other.
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收藏
页码：568 / 574
页数：7
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