Theoretical study of vibrational spectra of monosaccaride nitrates

Abstract

As it is known, the spectra of monosaccharides are of a complex diffuse form, which results from the overlap of a great number of closely spaced absorption bands. The experimental assignment of the majority of frequencies is very problematic. The substitution of the hydroxyl groups in the pyranose rings for the nitrate groups has a very pronounced effect on the general view of the spectrum. But, in spite of the apparent simplification of the spectra and pronounced changes in the spectra arising on selective nitrosubstitution, the detailed interpretation of the spectra of monosaccharide nitrates presents a very complex problem. The full and highly reliable interpretation of the observed spectra of these compounds can be obtained only from a complete theoretical analysis including a calculation of band intensities of the vibrational spectra of these molecules.