Normal Vibrations of Trinitro Toluene: Need for a Fresh Study
Keywords: Urey Bradley force, Infrared absorption spectra, Ring Frequencies
AbstractIn view of certain infirmities in the available data on the normal coordinate analysis of TNT, a fresh study from the both theoretical and experimental viewpoints has been necessitated. Wilson's GF matrix method with Urey-Bradley force field has been used to calculate normal frequencies. Valence charge distribution using INDO/MO calculations lend support to the force field used. The experimental data have been obtained from the Fourier transform infrared absorption spectra. This spectrum is a superposition of the two types of molecular structures present in TNT. The changed valence charge distribution in trinitrobenzene on the introduction of the methyl group is indicated as a possible reason for the explosive nature of TNT.
How to Cite
Wadhwani, N., Wadhwani, S., & Gupta, V. (2013). Normal Vibrations of Trinitro Toluene: Need for a Fresh Study. Defence Science Journal, 44(1), 61-67. https://doi.org/10.14429/dsj.44.4152
Applied Physics & Fluid Dynamics
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