The influence of H-bonds on the torsion vibrations and structure of D-glucose and D-galactose CCOH…O groups in a crystal

Abstract We propose a method of hydrogen bond effective quasi-harmonic potential matching for taking into account changes in the torsion energy of CCOH groups involving H-bonds. The knowledge of the perturbing potential has permitted analytical calculations of changes in the torsion force constants of these groups. It is also shown that the application of the matched potential for determining the torsion angle leads to a better agreement with the experimental geometrical data.