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26 April 2007 Detection of simulants and degradation products of chemical warfare agents by vibrational spectroscopy
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This work was focused in the measurement of spectroscopic signatures of Chemical Warfare Agent Simulants (CWAS) and degradation products of chemical agents using vibrational spectroscopy for the generation of spectroscopic libraries. The chemicals studied were: DMMP, DIMP, 2-CEES, 2-BAET, 1,4-thioxane, thiodiglycol sulfoxide, dihexylamine, cyclohexylamine, among others. Raman microscopy experiments were performed at different excitation wavelengths that spanned from NIR at 1064 and 785 nm to the VIS at 532, 514.5 and 488 nm and even the deep ultraviolet region at 244 nm. For the compounds studied the optimum excitation lines were 488 nm and 532 nm with a laser power of 25 mW. Among the most prominent bands were at these incident wavelengths were located ca. 652 and 1444 cm-1. Fourier Transform Infrared Spectroscopy in liquid and gas phase and Fiber Optics Coupled-Grazing Angle Probe-FTIR (FOCGAP- FTIR) were used to characterize the spectroscopic signature of target threat agents. The surface experiments were performed at detection levels of about 1 &mgr;g/cm2 suggest that limits of detection (LOD) achievable could be as low as nanograms/cm2. Remote sensing experiments were performed using a telescope coupled with a Raman spectrophotometer as a function of power and acquisition time. Characterization of compounds by vibrational spectroscopy and the early stages of the transition from the lab based experiments to remote detection experiments will be presented.
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Orlando Ruiz-Pesante, Leonardo C. Pacheco-Londoño, Oliva M. Primera-Pedrozo, William Ortiz, Yadira M. Soto-Feliciano, Deborah E. Nieves, Michael L. Ramirez, and Samuel P. Hernández-Rivera "Detection of simulants and degradation products of chemical warfare agents by vibrational spectroscopy", Proc. SPIE 6554, Chemical and Biological Sensing VIII, 65540B (26 April 2007); doi: 10.1117/12.720344;

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