Spectroscopic modeling of nitro group in explosives

The goal of this work was to develop a statistical model for the spectroscopic behavior for the nitro group in nitrogen based explosives (nitroexplosives) using Discriminant Analysis (DA). The variables used in this analysis were the Raman shift and IR wavenumber (spectral locations) of the symmetric and asymmetric mode of the nitro group. A second group of variables were the absorbance and Raman scattering intensity. Potassium Bromide pellets was used for running the samples in FTIR. The samples were measured at a 4 cm -1 resolution and 32 scans. Spectra were collected using Bruker OPUS version 4.2 software, in the range of 400-4000 wavenumbers (cm -1). Raman spectra of samples were collected from neat samples deposited on stainless steel slides (for solids) and in melting point capillary tubes (for liquids). Raman analysis was carried out by using a confocal Renishaw Raman Microspectrometer Model RM2000 equipped with a solid state diode laser system emitting at a wavelength of 532 nm as the excitation source. A statistical model using sixty explosives is presented. In this study was obtained a good model of calibration using DA (Linear Discriminant Function) and it was possible to observe the nitro group behavior in explosives for Raman and Infrared Spectroscopy. (Abstract shortened by UMI.)...