Sterically congested 2,2-disubstituted indane-1,3-dione derivatives have been synthesized 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.
Abstract:Sterically congested 2,2-disubstituted indane-1,3-dione derivatives have been synthesized 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.
Synthesis and Infrared Spectra Computation of StericallyCongested2,2Disubstituted Indane-1,3-dione Derivatives[J]. , 2011, 30(4): 568-574.
Seyed Mohammad Shoaei; Ali Reza Kazemizadeh;Ali Ramazani.
Synthesis and Infrared Spectra Computation of Sterically Congested2,2Disubstituted Indane-1,3-dione Derivatives. , 2011, 30(4): 568-574.