Spectrochim Acta A Mol Biomol Spectrosc
November 2014
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.
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