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  Physics Express 2011, 1: 24
  Research Article
Raman spectroscopic study of 2,4,6–trinitrotoluene at high pressure
  Sergei V. Goryainova,b,*, Vladimir A. Volodinb,c, Andrey M. Danilenkod  
a Institute of Mineralogy and Petrography SB RAS, Acad. Koptyug Avenue 3, Novosibirsk 630090, Russia
bNovosibirsk State University, Pirogova street 2, Novosibirsk 630090, Russia
c Institute of Semiconductor Physics SB RAS, Acad. Lavrentiev Avenue 13, Novosibirsk 630090, Russia
dInstitute of Inorganic Chemistry SB RAS, Acad. Lavrentiev Avenue 3, Novosibirsk 630090, Russia

  By means of Raman spectroscopy, monoclinic 2,4,6–trinitrotoluene (TNT) samples were investigated at elevated hydrostatic pressures up to ~3 GPa. As pressure was increased to 2 GPa, new bands emerged in the low-frequency portion of measured Raman spectra of the samples while some of the Raman bands initially present in the spectra disappeared from them, proving conclusively that a structural transition from initially monoclinic phase-I to phase-II TNT occurred in our samples. The majority of high-frequency bands (with wavenumbers above 250 cm-1) were found to show a sharp increase in intensity at the transition pressure of 2 GPa. The frequencies of several low-frequency bands in phase-I TNT samples exhibited a nonlinear dependence on pressure; this anharmonic behavior of related vibration modes was attributed to very weak van der Waals forces acting between TNT molecules.
  Trinitrotoluene; Organic crystal; Raman scattering; High pressure  

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