Terahertz phonon modes of an intermolecular network of hydrogen bonds in an anhydrous β-d-glucopyranose crystal

First-principles calculations of single molecular vibrations and the crystalline phonons of β-d-glucopyranose crystal in the terahertz region were performed using periodic DFT calculations. The frequencies and eigenvectors of the phonon modes did not correspond to those of the modes of a single molecule, due to intermolecular hydrogen bonds in the crystal.