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Mahmoudian A, Saheb V, Rouholamini Nejad H. Trinitrotoluene Infrared Absorption Spectrum. ICOP & ICPET _ INPC _ ICOFS 2018; 24 :185-188
URL: http://opsi.ir/article-1-1500-en.html
URL: http://opsi.ir/article-1-1500-en.html
1- Faculty of Physics, Shahid Bahonar University of Kerman
Abstract: (2709 Views)
Trinitrotoluene (TNT) is used as propellant and explosive. Detection of this compound is of great importance from security and environmental pollution stand points. In this research, Infrared (IR) spectrum of TNT is recorded. Next, the structure and vibrational frequencies of normal modes of TNT molecule are computed by electronic – structure calculations. By companies on of the IR peaks of TNT in the computed vibrational frequency, each IR peak is assigned to the corresponding normal mode of vibration. The results of the present work can be applied to the identifications of TNT by lasers working in IR region.
Keywords: Trinitrotoluene detection, Infrared absorption spectrum of trinitrotoluene, vibrating techniques, Quantum chemistry
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