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

作　　者：Seyed Mohammad Shoaei Ali Reza Kazemizadeh Ali Ramazani 

机构地区：[1]Department of Chemistry,Islamic Azad University,Zanjan Branch

出　　处：《Chinese Journal of Structural Chemistry》2011年第4期568-574,共7页结构化学（英文）

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.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.

关 键 词：vibrational frequency DFT HF FT-IR spectra 2 2-disubstituted indane-1 3-dione ISOCYANIDE 

分 类 号：O621.3[理学—有机化学]