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Proceedings Paper

An experimental and theoretical study of the synthesis and vibrational spectroscopy of triacetone triperoxide (TATP)
Author(s): Leonardo C. Pacheco-Londono; Alvaro J. Pena; Oliva M. Primera-Pedrozo; Samuel P. Hernandez-Rivera; Nairmen Mina; Rafael Garcia; R. Thomas Chamberlain; Richard T. Lareau
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Paper Abstract

Non nitrogen containing, organic peroxides explosives Triacetone triperoxide and diacetone diperoxide have been prepared in the laboratory in order to study various aspects of their synthesis and their experimental and theoretical spectroscopic characteristics. By using different proportions of acetone/hydrogen peroxide (Ac/H2O2), sulfuric, hydrochloric and methanosulfuric acids as catalyzers, it was possible to obtain both compounds in a rapid and simple form. Raman, IR spectroscopy, and GC-MS were used in order to determine the precursors, intermediates and final analytes. Experiments and theoretical studies using density functional theory (DFT) have been used in the elucidation step of the mechanism of the synthesis of the so called "transparent" explosives. The B3LYP functional with the 6-31G** basis set was used to carry out the electronic structure calculation of the intermediates and internal rotations and vibrations of TATP. Raman spectra of solid TATP and FTIR spectra of gas TATP, were recorded in order to assign the experimental spectra. Although full agreement with experiment was not obtained, spectral features of the main TATP bands were assigned.

Paper Details

Date Published: 15 September 2004
PDF: 9 pages
Proc. SPIE 5403, Sensors, and Command, Control, Communications, and Intelligence (C3I) Technologies for Homeland Security and Homeland Defense III, (15 September 2004); doi: 10.1117/12.542851
Show Author Affiliations
Leonardo C. Pacheco-Londono, Univ. de Puerto Rico/Mayaguez (United States)
Alvaro J. Pena, Univ. de Puerto Rico/Mayaguez (United States)
Oliva M. Primera-Pedrozo, Univ. de Puerto Rico/Mayaguez (United States)
Samuel P. Hernandez-Rivera, Univ. de Puerto Rico/Mayaguez (United States)
Nairmen Mina, Univ. de Puerto Rico/Mayaguez (United States)
Rafael Garcia, Univ. de Puerto Rico/Mayaguez (United States)
R. Thomas Chamberlain, Transportation Security Administration (United States)
Richard T. Lareau, Transportation Security Administration (United States)


Published in SPIE Proceedings Vol. 5403:
Sensors, and Command, Control, Communications, and Intelligence (C3I) Technologies for Homeland Security and Homeland Defense III
Edward M. Carapezza, Editor(s)

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