کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1233996 | 1495241 | 2014 | 11 صفحه PDF | دانلود رایگان |
• Four azobipyridines were synthesized.
• Based on the DFT modeling the structures of these compounds were proposed.
• The vibrational characteristics of the azo-bond were reported.
• The role of substitution position of the methyl group was discussed.
Syntheses of 3,3′-dinitro-2,2′-azobipyridine and 4,4′ (or 5,5′ or 6,6′)-dimethyl-3,3′-dinitro-2,2′-azobipyridine have been described. Molecular structures of these compounds have been determined and compared, to the basic compound, azobipyridine, reported by us earlier. The conformation of the azo-bond and other structural data are discussed in terms of substitution place of methyl chromophore. Fourier transform IR and Raman spectra of these compounds have been measured and analysed. The 6-311G (2d,2p) basis set with the B3LYP functional have been used to discuss the space conformation and dynamics of the studied compounds.
Figure optionsDownload as PowerPoint slide
Journal: Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy - Volume 127, 5 June 2014, Pages 370–380