Study of Vibrational Motion Laws of Acetonitrile Molecule by Combination Scattering and Infrared Spectroscopy Methods

Abstract

Using combination (Raman) and infrared spectroscopy methods, the regularities of interatomic hydrogen bonds in the acetonitrile molecule, which belongs to the methyl group of hydrocarbons, were studied in the frequency range of 0-3500 cm -1 Based on the results of experiments and theoretical calculations, it was determined that the role of hydrogen bonds in the manifestation of combined light scattering and infrared absorption spectra is special. A number of parameters reflecting the laws of vibrational motion of the molecule associated with hydrogen bonds were theoretically calculated.. A structural model of the acetonitrile molecule was created based on quantum-chemical calculations