THEORETICAL INTERPRETATION OF SPECTRAL SIGNS OF AN OXYMETHYL GROUP IN THE IR SPECTRUM OF METHYL-β-D-GLUCOPYRANOSIDE

摘要

For the first time, we have assigned the observed absorption bands and interpreted the IR spectrum of methyl-β-D-glucopyranoside in detail in the 1500-800 cm{sup}(-1) region, based on a full calculation of the frequencies and absolute intensities of the normal vibrations of the molecule and their comparison with the experimental data. We have identified two groups of spectral signs indicating an oxymethyl substituent has replaced the hydroxyl group on the C{sub}(1) atom in the glucopyranoside: absorption bands of medium intensity due to the characteristic vibrations of the substituent, and intense bands due to an unusual "interaction" between many structural moieties.