Raman and ab initio study of intermolecular interactions in aniline

RAMAN SPECTRA AND ab-initio CALCULATION ANALYSIS OF INTERMOLECULAR INTERACTIONS IN ETHYLACETATE

“…Intermolecular interactions play a key role in the study of physical, biological and chemical processes [1][2]. In the study of intermolecular interaction forces and intermolecular hydrogen bonds the mixed research of vibrational spectroscopy and theoretical calculations allows to fully justify the obtained experimental results [3][4][5][6][7]. Ethylacetate is widely used in the food industry as a flavoring agent.…”

Formation of Hydrogen Bonds and Vibrational Processes in Dimethyl Sulfoxide and Its Aqueous Solutions: Raman Spectroscopy and Ab Initio Calculations

“…Raman spectroscopy is widely used to study the structure of molecules, intermolecular and intramolecular H-bonds, interactions between a solute and a solvent, etc. [1][2][3][4][5][6][7]. Understanding the structure and intermolecular interactions in the liquid phase is im-C i t a t i o n: Jumabaev A., Hushvaktov H., Khudaykulov B., Absanov A., Onuk M., Doroshenko I., Bulavin L. Formation of hydrogen bonds and vibrational processes in dimethyl sulfoxide and its aqueous solutions: Raman spectroscopy and ab initio calculations.…”

“…The high possibility of dipole-dipole interactions between DMSO molecules in aqueous and other binary solutions was shown. In [5], it was found that the non-classical hydrogen bond can be formed not only via the C-H bond, but also through 𝜋 elec-trons in aromatic rings. In the study of intermolecular interactions, an important role is played by determining the contribution of each vibrational frequency, explaining non-classical hydrogen bonds by changes in bond lengths and in the charge distribution.…”