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

被引：0

作者：

Shoaei, Seyed Mohammad ^{[1
]}

Kazemizadeh, Ali Reza ^{[1
]}

Ramazani, Ali ^{[1
]}

机构：

[1] Islamic Azad Univ, Dept Chem, Zanjan Branch, Zanjan, Iran

来源：

CHINESE JOURNAL OF STRUCTURAL CHEMISTRY | 2011年 / 30卷 / 04期

关键词：

vibrational frequency; DFT; HF; FT-IR spectra; 2,2-disubstituted indane-1,3-dione; isocyanide; ONE-POT SYNTHESIS; ACETYLENIC ESTERS; DFT CALCULATIONS; FT-IR; 4-COMPONENT SYNTHESIS; 3-COMPONENT REACTION; VIBRATIONAL-SPECTRA; THEORETICAL DFT; RAMAN; (N-ISOCYANIMINO)TRIPHENYLPHOSPHORANE;

D O I：

暂无

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

Sterically congested 2,2-disubstituted indane-1,3-dione derivatives have been synthesized and characterized by H-1 NMR, C-13 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.

引用

页码：568 / 574

页数：7

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