Investigation of the Raman spectrum of cinnamic acid

This article presents a structural and dynamic model of a cinnamic acid molecule based on its chemical structure. According to the quantum chemical method DFT/B3LYP/6-31G(d), the geometry of the conformation of the molecule was optimized, and the Raman shift frequencies were calculated in the form of a theoretical Raman spectrum. The calculations have been confirmed experimentally, and the causes of minor deviations have been established. The results obtained will be useful for the experimental detection of cinnamic acid in the composition of a complex substance by Raman spectroscopy methods.