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首页> 外文OA文献 >Single-crystal, polarized, Raman scattering study of the molecular and lattice vibrations for the energetic material cyclotrimethylene trinitramine
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Single-crystal, polarized, Raman scattering study of the molecular and lattice vibrations for the energetic material cyclotrimethylene trinitramine

机译：高能材料环三亚甲基三硝胺的分子和晶格振动的单晶，极化，拉曼散射研究

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The single-crystal, polarized, Raman spectra for cyclotrimethylene trinitramine (RDX) have been studied at room temperature and pressure over the region of 5–3400 cm-1. While the observed Raman bands agree well with a previous Raman study, this work provides a consistent interpretation of the Raman spectra by assignment of fundamental modes, overtones, and combination bands. A total of 56 internal vibrations were observed, 36 of which were labeled as fundamental molecular vibrations. In addition, all 24 lattice optical phonons are identified. All six possible polarizations were probed to obtain the Ag, B1g, B2g, and B3g symmetry modes for both the lattice and molecular modes. Finally, the importance of these phonons for coupling with “doorway” Raman-active modes of RDX is discussed in relation to proposed mechanisms for detonation initiation.
机译：环三亚甲基三硝胺（RDX）的单晶偏振拉曼光谱已在室温和常压下在5-3400 cm-1范围内进行了研究。尽管观察到的拉曼谱带与先前的拉曼谱很好地吻合，但这项工作通过分配基本模式，泛音和组合谱带，对拉曼光谱提供了一致的解释。总共观察到56个内部振动，其中36个被标记为基本分子振动。此外，还可以识别所有24个晶格光学声子。探测所有六个可能的极化，以获得晶格和分子模的Ag，B1g，B2g和B3g对称模。最后，关于声子引发的机制，讨论了这些声子与RDX的“门道”拉曼激活模式耦合的重要性。

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