Raman and infrared fingerprint spectroscopy of peroxide-based explosives
Document Type
Article
Date of Original Version
1-1-2008
Abstract
A comparative study of the vibrational spectroscopy of peroxide-based explosives is presented. Triacetone triperoxide (TATP) and hexamethyl- enetriperoxide-diamine (HMTD), now commonly used by terrorists, are examined as well as other peroxide-ring structures: DADP (diacetone diperoxide); TPTP [3,3,6,6,9,9-Hexaethyl-1,2,4,5,7,8-hexaoxo-nonane (tripentanone triperoxide)]; DCypDp {6,7,13,14-Tetraoxadispiro [4.2.4.2]tetradecane (dicyclopentanone diperoxide)}; TCypDp {6,7,15,16,22,23-Hexaoxatrispiro[4.2.4.2.4.2] henicosane (tricyclopentanone triperoxide)}; DCyhDp {7,8,15,16-tetraoxadispiro [5.2.5.2] hexadecane (dicyclohexanone diperoxide)}; and TCyhTp {7,8,14,15,21,22- hexaoxatrispiro [5.2.5.2.5.2] tetracosane (tricyclohexanone triperoxide)}. Both Raman and infrared (IR) spectra were measured and compared to theoretical calculations. The calculated spectra were obtained by calculation of the harmonic frequencies of the studied compounds, at the density functional theory (DFT) B3LYP/cc-pVDZ level of theory, and by the use of scaling factors. It is found that the vibrational features related to the peroxide bonds are strongly mixed. As a result, the spectrum is congested and highly sensitive to minor changes in the molecule. © 2008 Society for Applied Spectroscopy.
Publication Title, e.g., Journal
Applied Spectroscopy
Volume
62
Issue
8
Citation/Publisher Attribution
Oxley, Jimmie, James Smith, Joseph Brady, Faina Dubnikova, Ronnie Kosloff, Leila Zeiri, and Yehuda Zeiri. "Raman and infrared fingerprint spectroscopy of peroxide-based explosives." Applied Spectroscopy 62, 8 (2008): 906-915. doi: 10.1366/000370208785284420.