Raman and FTIR spectroscopy experimental and theoretical in magnetic nanoemulsion from Carapa Guianensis Aublet

Abstract

This work brings Raman and Fourier transform infrared (FTIR) spectroscopy as a proposal for a vibrational characterization of Carapa Guianensis Aublet essential oil in natura and polymerized and of magnetic nanoemulsion. Calculation of computational chemistry based on the method density functional theory with B3LYP functional and 6-311+G(d,p) base set parameters was used to obtain theoretical frequencies and vibrational signatures of the oleic acid molecule. Results of Raman and Fourier transform infrared spectroscopy confirm bands of Carapa Guianensis Aublet essential oil present in polymerized oil and magnetic nanoemulsion studied. The density functional theory method shows that the bands 1099 cm-1, 1714 cm-1 and 1812 cm-1 explain the presence of vibrational modes of oleic acid in the samples. The density functional theory brought good conformation to the chosen molecule.