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THz spectroscopic investigation of 2,4-dinitrotoluene |
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| Authors: | Yunqing Chen Haibo Liu Yanqing Deng Dunja Schauki Michael J Fitch Robert Osiander Caroline Dodson James B Spicer Michael Shur and X-C Zhang |
| Institution: | aCenter for Terahertz Research, Rensselaer Polytechnic Institute, Troy, NY 12180-3509, USA bApplied Physics Laboratory, Johns Hopkins University, MD 20723-6099, USA cDepartment of Material Science and Engineering, Johns Hopkins University, MD 21218, USA |
| Abstract: | We have investigated the terahertz (THz) spectrum of 2,4-DNT by using Fourier transform infrared spectroscopy in the 0.2–19.5 THz region. We also examined low-frequency intermolecular or phonon modes between 0.2 and 1.8 THz via THz time-domain spectroscopy. The extracted absorption coefficient and refractive index of an intermolecular band at 1.08 THz are  110 cm?1 and 1.67, respectively. Density functional theory (DFT) was applied to obtain structure and vibrational frequencies of 2,4-DNT. The calculated results are in agreement with the experimental data. Observed vibrational frequencies have been interpreted using DFT. Two intermolecular or phonon modes were identified at 1.08 and 2.52 THz. |
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