[Infrared and Raman vibrational analysis of high energy materials with chemometrics]

The detection of highly energetic materials (HEM), also called explosives, is a topic of worldwide interest. Every year many lives and property are lost due to the improper use of these substances. This research uses an analytical methodology based on vibrational spectroscopy such as infrared (IR) and Raman to detect explosives. Reference spectra from TNT, DNT, PETN and RDX were used for IR and Raman mode detections. The samples used were metallic surfaces and solid samples containing HEMs. Raman and infrared vibrational bands were detected. Fourteen solid samples of unknown composition were analyzed with this methodology. Comparative quantitative analyses based on the spectral correlation index were performed. Supervised multivariate analyses, such as PLS-DA, were performed. The results show that IR and Raman spectroscopy is useful to identify if a sample has any HEM.