title: Synchrotron FT-FIR spectroscopy of nitro-derivatives vapors: new spectroscopic signatures of explosive taggants and degradation products.
abstract: We report on the first successful rovibrational study of gas phase mononitrotoluene and dinitrotoluene in the TeraHertz/Far-Infrared (THz/FIR) spectral domain. Using the AILES beamline of the synchrotron SOLEIL and a Fourier Transform spectrometer connected to multipass cells, the low-energy vibrational cross-sections of the different isomers of mononitrotoluene have been measured and compared to calculated spectra with the density functional theory including the anharmonic contribution. The active FIR modes of 2,4 and 2,6 dinitrotoluene have been assigned to the vibrational bands measured by Fourier Transform FIR spectroscopy of the gas-phase molecular cloud produced in an evaporating/recondensating system. This study highlights the selectivity of gas phase THz/FIR spectroscopy allowing an unambiguous recognition and discrimination of nitro-aromatic compounds used as explosive taggants.
authors: Laboratoire de Physico-Chimie de l'Atmosphère, EA-4493, Université du Littoral - Côte d'Opale, 59140 Dunkerque, France. Electronic address: Arnaud.Cuisset@univ-littoral.fr.
authors: Arnaud
authors: A
authors: Cuisset
authors: Synchrotron SOLEIL, L'orme des Merisiers, Saint-Aubin - BP48, 91192 Gif-sur-Yvette, France.
authors: Sébastien
authors: S
authors: Gruet
authors: Synchrotron SOLEIL, L'orme des Merisiers, Saint-Aubin - BP48, 91192 Gif-sur-Yvette, France; Institut des Sciences Moléculaires d'Orsay, UMR-8214 CNRS, Université Paris-Sud, 91405 Orsay Cedex, France.
authors: Olivier
authors: O
authors: Pirali
authors: Institut des Sciences Moléculaires d'Orsay, UMR-8214 CNRS, Université Paris-Sud, 91405 Orsay Cedex, France.
authors: Thierry
authors: T
authors: Chamaillé
authors: Laboratoire de Physico-Chimie de l'Atmosphère, EA-4493, Université du Littoral - Côte d'Opale, 59140 Dunkerque, France.
authors: Gaël
authors: G
authors: Mouret
mesh_terms: D003198:Computer Simulation; D053834:Explosive Agents / Q000737:chemistry*; D005740:Gases / Q000737:chemistry*; D007536:Isomerism; D008968:Molecular Conformation; D009574:Nitro Compounds / Q000737:chemistry*; D017550:Spectroscopy, Fourier Transform Infrared; D017356:Synchrotrons
chemical_list: D053834:Explosive Agents; D005740:Gases; D009574:Nitro Compounds
keywords: Isomers; Nitrotoluene derivatives; Synchrotron FIR source; THz radiation; Vibrational spectrum