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**Chapter 9** 

© 2012 Hernández-Rivera et al., licensee InTech. This is an open access chapter distributed under the terms of the Creative Commons Attribution License (http://creativecommons.org/licenses/by/3.0), which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

© 2012 Hernández-Rivera et al., licensee InTech. This is a paper distributed under the terms of the Creative Commons Attribution License (http://creativecommons.org/licenses/by/3.0), which permits unrestricted use,

distribution, and reproduction in any medium, provided the original work is properly cited.

**Multivariate Analysis in Vibrational** 

**Spectroscopy of Highly Energetic Materials** 

**and Chemical Warfare Agents Simulants** 

John R. Castro-Suarez, William Ortiz-Rivera, Nataly Galan-Freyle,

The detection of harmful materials in bulk and trace levels present in different matrices: gases/vapors, liquids, and solids is an important consideration for the development of sensors and standoff detection systems for use in National Defense and Security applications. Hazardous chemicals such as highly energetic materials (HEM), homemade explosives (HME), chemical and biological agents are classified as imminent threats, providing terrorists with ways to cause damage to civilians or troops. Chemical warfare agents (CWA) are usually classified as skin-damaging, nerve agents and toxins [1]. Examples of exposures have occurred since World War I with the development of chlorine, phosgene, cyanide and sulfur mustard which were also used in the Iran-Iraq war. In recent times, terrorist attempts involving chemical warfare agents have occurred all over the World as in the case of Sarin (Japan, 1994) and Ricin (London and Paris, 2003) [2]. Threat perception of chemical warfare agents has increased since September 11, 2001 [3,4]. Exposure to low levels of these chemical agents can cause respiratory problems, eye irritation, choking and blisters. LD50 (mg/kg) values for Nerve agents include Tabun (0.08),

Most studies that have been published about detection of these compounds are based on spectroscopic and chromatographic (GC and HPLC) methodologies [6-11]. Vibrational spectroscopy has demonstrated to be valuable for the detection of HEM, HME, CWA and Simulants (CWAS) and Toxic Industrial Compounds (TIC). In particular, infrared spectroscopy (IRS) and Raman spectroscopy (RS) in various modalities have played unique roles in threat compounds detection [6,12-19]. IRS and RS can be employed for detection of

Amanda Figueroa-Navedo, Leonardo C. Pacheco-Londoño

and Samuel P. Hernández-Rivera

http://dx.doi.org/10.5772/54104

**1. Introduction** 

Additional information is available at the end of the chapter

Sarin (0.01), Soman (0.025) and VX (0.007) [5].

