DFT method in ALA, DHA and EPA molecules in Raman vibrational analysis of ostrich oil from the Amazon

EDensity Functional Theory (DFT) method was applied in the process of vibrational investigation in fatty acid structures: eicosapentaenoic (EPA), docosahexaenoic (DHA), alpha-linolenic or linolenic (ALA). The data were crossed with response of Raman spectroscopy in ostrich oil (OA). In this study, the Raman spectrum of pure ostrich oil presents a vibrational pattern common to many oils, even from different origins, and the association with DFT calculations was important to define the vibrational signature of chemical bonds,mainly from groups C=O, C=C, CH2 present in ALA, DHA and EPA.