TY - JOUR AU - N. Wadhwani AU - S.G. Wadhwani AU - V.D. Gupta PY - 2013/01/01 Y2 - 2024/03/29 TI - Normal Vibrations of Trinitro Toluene: Need for a Fresh Study JF - Defence Science Journal JA - DSJ VL - 44 IS - 1 SE - Applied Physics & Fluid Dynamics DO - 10.14429/dsj.44.4152 UR - https://publications.drdo.gov.in/ojs/index.php/dsj/article/view/4152 AB - In 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. ER -