Espectroscopia Raman e cálculos de primeiros princípios da DL-Fenilalanina

Abstract

In the present work, crystals of DL-Phenylalanine were grown by evaporation at room temperature of their aqueous solution. The crystals were characterized by X ray diffraction (XRD) and thermal methods such as thermogravimetry and differential scanning calorimetry. At last, the vibration modes were determined by Raman and infrared (IR) spectroscopy at room temperature and pressure. The band classification were carried out by comparison to published works and density functional theory (DFT) calculations.