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Proceedings Paper

Characterization of peroxide-based explosives using Raman spectroscopy: isotopic analysis and DFT calculations of triacetone triperoxide (TATP)
Author(s): Carolyn S. Brauer; Jeffrey Barber; James C. Weatherall; Barry T. Smith; Jill Tomlinson-Phillips; Alfred Wooten
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Paper Abstract

The Raman spectra of triacetone triperoxide (TATP) and its fully deuterated isotopologue (d18-TATP) have been measured. Density functional theory calculations were performed using the EDF2/6-311++G** and B3LYP/6-311++G** methods/basis set to predict the Raman spectra of both the parent and deuterated isotopologues. The predicted isotopic shifts were used to identify frequency shifts in the experimental results and tentative assignments have been made for 10 fundamental vibrational modes of d18-TATP.

Paper Details

Date Published: 2 June 2011
PDF: 6 pages
Proc. SPIE 8019, Sensors, and Command, Control, Communications, and Intelligence (C3I) Technologies for Homeland Security and Homeland Defense X, 80190H (2 June 2011); doi: 10.1117/12.888867
Show Author Affiliations
Carolyn S. Brauer, Transportation Security Lab. (United States)
Jeffrey Barber, Battelle Memorial Institute (United States)
James C. Weatherall, SRA International, Inc. (United States)
Barry T. Smith, Transportation Security Lab. (United States)
Jill Tomlinson-Phillips, Transportation Security Lab. (United States)
Alfred Wooten, Global Systems Technology, Inc. (United States)


Published in SPIE Proceedings Vol. 8019:
Sensors, and Command, Control, Communications, and Intelligence (C3I) Technologies for Homeland Security and Homeland Defense X
Edward M. Carapezza, Editor(s)

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