Abstract
Two primary goals of infrared spectroscopic detection are chemical identification and quantification. In order to accomplish these goals, a comprehensive and quantitative spectral library suitable for digital manipulation is required. To a large degree, the contents of such a library depend on the application. Since the primary application of the PNNL/DOE spectral library is for environmental monitoring, we have focused our efforts on hazardous pollutants, as well as a large variety of natural and anthropogenic chemicals. As a spin-off project and in collaboration with Dugway Proving Ground, we also had the opportunity to analyze a limited set of chemical warfare agents (CWAs). An example of such data appears below. [Formula: see text] Infrared optical properties of VX [O-ethyl S-(2-diisopropylaminoethyl) methylphosphonothioate] in the vapor and liquid phases. Refractive index data (top traces) are critical for modeling aerosol and reflection phenomena.
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