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Journal of Structural Chemistry

2009 year, number 1

INTERPRETATION OF IR SPECTRA OF EPOXYSACCHARIDES BASED ON THE THEORETICAL CALCULATION OF FREQUENCIES AND INTENSITIES OF NORMAL VIBRATIONS

M. V. Korolevich, S. G. Kirillova, V. N. Piottukh-peletskii, V. M. Andrianov
Keywords: epoxysaccharides, IR spectroscopy, analysis of normal vibrations, absolute IR intensities, interpretation of IR spectra
Pages: 47-57

Abstract

A detailed assignment of absorption bands in IR spectra of methyl 3,4-anhydro-α-D-talo-hexapyranoside and methyl 2,3-anhydro-4-deoxy-α-D-ribo-hexapyranoside is first made based on the complete calculation of frequencies and absolute intensities of normal vibrations of molecules and their comparison with the corresponding experimental values. The effect of the epoxy group on the bands characteristic of the pyranose ring is analyzed. The charactericity of spectral features of oxymethyl substitution for the hydroxyl group and the oxirane ring is studied.