Role of Intermolecular Interactions in Forming the Vibrational Spectra of Carbohydrate Nitrate Crystals in the Region 1600–1700 cm−1

Abstract

To elucidate the role of intermolecular interactions in forming the vibrational spectra of the crystals of carbohydrate nitrates in the region 1600–1700 cm−1, theoretical calculations are performed (in the approximation of an additive model of interatomic interactions with the use of the Green's functions) for the density of vibrational states and the intensity of absorption bands in the IR spectrum of a methyl-β-D-glucopyranoside tetranitrate molecule in a crystal. It is shown that the splitting of absorption bands in the IR spectral region under consideration relates to the crystal effect.