Raman spectroscopy of the high explosives / Espectroscopia Raman de altos explosivos

AUTOR(ES)

Marcelo Abreu de Souza

DATA DE PUBLICAÇÃO

2006

RESUMO

Selected high explosives were characterized by Raman and Infrared spectroscopies and the effect of temperature was followed in-situ by Raman spectroscopy. TNT, HMX, RDX, PETN (commercial products) and TATP belong to distinct chemical families (except HMX and RDX) and their response to heating was evaluated. The samples were first characterized by FT-IR, FT-IR/ATR and Raman with excitation in the visible (632.8 nm) and in the NIR (1064 nm) aiming at the detection of sampling effects in the obtained spectra, specifically phase transitions and degradation. ATR and FT-Raman were the techniques of choice to provide the spectra for band assignment, which was assisted by theoretical simulations (DFT). Each sample was heated up to a temperature well below its melting point, in order to avoid thermal decomposition. The bands most affected by temperature were taken as the routes for energy relaxation in explosives. The obtained results lead to the conclusion that PETN decomposes through the rupture of the C-ONO2 bond, whereas in HMX and RDX the N-N bond is broken. TNT spectra indicates that the NO2 and C-N vibrations are the most sensitive to temperature and TATP sublimated at 70°C and no bands were affected by temperature. The results are agreement with the literature or theoretical simulations.

ASSUNTO(S)

explosivos de alta potência high explosives raman spectroscopy espectroscopia raman

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