Колебательная спектроскопия маркеров ИКАО

Ш.Ш. Набиев; Д.Б. Ставровский; Л.А. Палкина; Е.Н. Голубева; В.Л. Збарский; Н.В. Юдин; В.М. Семенов

doi:10.18321/

Authors

Sh.Sh. Nabiev National Research Centre "Kurchatov Institute", Kurchatov sq. 1, 123182, Moscow
D.B. Stavrovskii Prokhorov General Physics Institute of the Russian Academy of Sciences, Vavilov St. 38, 119991, Moscow
L.A. Palkina National Research Centre "Kurchatov Institute", Kurchatov sq. 1, 123182, Moscow
E.N. Golubeva Lomonosov Moscow State University, Leninskie Gory 1,119991, Moscow
V.L. Zbarskii D. Mendeleyev University of Chemical Technology of Russia, Miusskaya sq. 9, 125047, Moscow
N.V. Yudin D. Mendeleyev University of Chemical Technology of Russia, Miusskaya sq. 9, 125047, Moscow
V.M. Semenov National Research University «Moscow Power Engineering Institute», Krasnokazarmennaya st. 14 , 111250 Moscow

DOI:

https://doi.org/10.18321/

Keywords:

markers, spectra, explosives, devices

Abstract

The paper discusses the fundamental physical and chemical properties of ICAO taggants, namely, ethylene glycol dinitrate (EGDN, C₂H₄(ОNО₂)₂), ortho-mononitrotoluene (2-NT, С₇Н₇NO₂), para-mononitrotoluene (4-NT, С₇Н₇NO₂), 2,3-dimethyl-2,3-dinitrobutane (DMDNB,C₆H₁₂(NO₂)₂) and 2,4-dinitrotoluene (2,4-DNT, C₇H₆N₂O₄). Special attention is paid to an analysis of the published data on temperature dependences of saturated vapor pressure of ICAO taggants and 2,4-DNT. The paper reports on a procedure developed for preparing samples of EGDN, 4-NT, 2-NT, 2,4-DNT and DMDNB of high purity (with the assay of >99.8%) with modern methods of their synthesis and decontamination. The authors studied experimentally IR absorption spectra of ICAO taggants in the vapor state at room temperature and those of 2,4-DNT vapors at T=330 K over a wide frequency range (from 500 to 4,000 cm^-1). The observed vibrational bands have been pre-assigned. IR spectra of ICAO taggants and 2,4-DNT are shown to be free of bands of gaseous decomposition products, in contrast to RDX and penthrite. Using modern methods of quantum chemistry has ensured characterization of equilibrium geometric configurations of the listed molecules and calculation of fundamental vibration frequencies. Absorption cross-section rates have been estimated for the most intensive bands in the experimental IR spectra of 4-NT, 2-NT and 2,4-DNT. Analyzed are Raman spectra of a variety of high explosives and ICAO taggants produced with the use of exciting laser radiation in the UV range. The distinctive feature of these spectra is proven to be intensive lines in these spectra that are related not only to symmetric valence vibration of the NO₂ group but also to vibrations of C-C, C-O, C-N, C-H, O-N bonds that can be used in the capacity of analytical in the Raman spectra analysis of microparticles of explosive and vapors of ICAO taggants. On the grounds of the analysis of modern laser technologies, a conclusion has been made that their use in conjunction with the spectroscopy data obtained will provide the means of reliable local and stand-off detec-tion and identification of ICAO taggants and a range of explosives with a sufficient selectivity level in both the condensed and vapor states in the open atmosphere. The as-obtained results may also be used for a real-time investigation of burning processes of ICAO taggant containing compounds.

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