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Russian journal of physical chemistry. B, 2016, Vol.10 (1), p.159-171
Ort / Verlag
Moscow: Pleiades Publishing
Erscheinungsjahr
2016
Quelle
Alma/SFX Local Collection
Beschreibungen/Notizen
The IR absorption spectra of the ICAO taggants, ethylene glycol dinitrate (EGDN),
o
-mononitrotoluene (2-NT),
p
-mononitrotoluene (4-NT) and 2,3-dimethyl-2,3-dinitrobutane (DMDNB) in the vapor phase, are studied at room temperature over a wide frequency range (500–4000 cm
–1
). The pre-assignment of the observed vibrational bands was performed. Modern quantum-chemical methods are applied to calculate the equilibrium geometries of these molecules and the frequencies of their fundamental vibrations. For the most intense bands of 2-NT and 4-NT, the absorption cross sections are estimated. Based on analysis of current laser technology, it has been concluded that their use in conjunction with the available spectroscopic data makes it possible to reliably perform local and remote detection and identification of ICAO taggants in an open atmosphere in real time.