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首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >High-pressure vibrational spectroscopy of energetic materials: Hexahydro-1,3,5-trinitro-1,3,5-triazine
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High-pressure vibrational spectroscopy of energetic materials: Hexahydro-1,3,5-trinitro-1,3,5-triazine

机译：含能材料的高压振动光谱：六氢-1,3,5-三硝基-1,3,5-三嗪

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摘要

Vibrational spectroscopy has been used to investigate the room-temperature high-pressure phases of the energetic material hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX). The pressure-induced alterations in the spectral profiles were studied in a compression sequence to 30.2 GPa using Raman spectroscopy and to 26.6 GPa using far-infrared spectroscopy. At pressures near 4.0 GPa, several changes become immediately apparent in the Raman spectrum, such as large frequency shifts, mode splittings, and intensity changes, which are associated with a phase transition from alpha-RDX to gamma-RDX. Our study extends the kinetic stability of gamma-RDX to pressures near 18.0 GPa. Evidence for a new phase was found at pressures between 17.8 and 18.8 GPa and is based on the appearance of new vibrational bands and associated changes in intensity patterns. The new phase has vibrational characteristics that are similar to those of beta-RDX, suggesting the two polymorphs share a related crystal structure.
机译：振动光谱法已用于研究高能材料六氢-1,3,5-三硝基-1,3,5-三嗪（RDX）的室温高压相。使用拉曼光谱法以30.2 GPa的压缩序列研究光谱曲线中压力引起的变化，使用远红外光谱法以26.6 GPa的压缩序列进行研究。在接近4.0 GPa的压力下，拉曼光谱中立即出现了一些变化，例如大的频移，模式分裂和强度变化，这些变化与从alpha-RDX到gamma-RDX的相变有关。我们的研究将gamma-RDX的动力学稳定性扩展到18.0 GPa附近的压力。在17.8至18.8 GPa的压力下发现了一个新相的证据，该证据基于新的振动带的出现以及强度模式的相关变化。新相具有类似于β-RDX的振动特性，表明这两个多晶型物具有相关的晶体结构。

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