Physics

Rotational isomeric and vibrational spectra of monomers and dimers for acrylic acid

M. D. Elkin^a, E. A. Erman^b, D. M. Nuralieva<sup>b

a</sup> Saratov State University
^b Astrakhan State University

Abstract: In frame of method DFT/b3LYP modelling calculation of geometrical structure and vibrational spectra for monomers and dimmers of trans- and cis- isomers of acrylic acid are carried out. The influence of anharmonic resonance effects and intermolecular interection on state and intensities of bands in IR and Raman spectra are researched.

Keywords: Acrylic Acid, vibrational spectra, structual-dynamic models, intermolecular interection.

UDC: 539.193/.194;535/.33/34