Detection of Nitroaromatic and Peroxide Explosives in Air Using Infrared Spectroscopy : QCL and FTIR

Abstract EN

A methodology for processing spectroscopic information using a chemometrics-based analysis was designed and implemented in the detection of highly energetic materials (HEMs) in the gas phase at trace levels.

The presence of the nitroaromatic HEM 2,4-dinitrotoluene (2,4-DNT) and the cyclic organic peroxide triacetone triperoxide (TATP) in air was detected by chemometrics-enhanced vibrational spectroscopy.

Several infrared experimental setups were tested using traditional heated sources (globar), modulated and nonmodulated FT-IR, and quantum cascade laser- (QCL-) based dispersive IR spectroscopy.

The data obtained from the gas phase absorption experiments in the midinfrared (MIR) region were used for building the chemometrics models.

Partial least-squares discriminant analysis (PLS-DA) was used to generate pattern recognition schemes for trace amounts of explosives in air.

The QCL-based methodology exhibited a better capacity of discrimination for the detected presence of HEM in air compared to other methodologies.