VIBRATIONAL-SPECTRA AND STEREOCHEMISTRY OF MONOSACCHARIDES AND POLYSACCHARIDES .1. D-GLUCOSE ANOMERS

A comparative study of the IR and Raman spectra of D-glucose anomers i s reported The spectra were found to differ between the anomers, despi te the absence of symmetry elements in the anomer molecules. The resul ts of theoretical calculations are systematized; if was found that the skeletal CiOi or CiO(i + 1) (i = 1, 2, 3, 4, 5) bond is characterized by a specific set of frequencies of normal vibrations, which have pre dominant contributions from the vibrations of atomic groups involving these bonds to the potential energy distribution (FED). The frequencie s of normal vibrations with the major contribution to FED from CO and CC bonds are well separated and differ between the D-glucose anomers. The C5C6 bond has the greatest number of normal vibrations with predom inant contributions to FED. Model calculations of vibrational spectra are reported for D-glucose anomers with modified (beta-->alpha and alp ha-->beta) conformations of the CH2OH group.