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Updated: Sep 1, 2025

Quantitative Detection of Trace Explosive Vapors by Programmed Temperature Desorption Gas Chromatography-Electron Capture Detector
Published on: July 25, 2014
Terahertz spectral identification and low-frequency vibrational analysis of dinitrotoluene isomers
Liu Quancheng1, Deng Hu1, Li Hongzhen2
1School of Information Engineering, Southwest University of Science and Technology, Mianyang, China.
Abstract:
Identifying dinitrotoluene (DNT) isomers has always been a challenging problem. In this study, five DNT isomers were investigated using terahertz time-domain spectroscopy (THz-TDS), which demonstrated significant spectral differences including variations in absorption positions and intensities. This suggests that THz-TDS is ideal for rapid identification of DNT isomers. We also employed density functional theory to further discuss the origin of these spectral differences. The results indicate that steric effects between substitute groups, rather than inter-molecular hydrogen bonding, lead to differences in low-frequency vibrations.
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