Structural and chemical properties of the nitrogen-rich energetic material triaminoguanidinium 1-methyl-5-nitriminotetrazolate under pressure.
Structural and chemical properties of the nitrogen-rich energetic material triaminoguanidinium 1-methyl-5-nitriminotetrazolate under pressure.
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DOI：
10.1063/1.4732097
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发表时间：
2012-08
期刊：
影响因子：
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通讯作者：
R. McWilliams;Yasmin A. Kadry;Yasmin Kadry;M. Mahmood;M. Mahmood;A. Goncharov;J. Ciezak‐Jenkins
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文献类型：
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作者：
R. McWilliams;Yasmin A. Kadry;Yasmin Kadry;M. Mahmood;M. Mahmood;A. Goncharov;J. Ciezak‐Jenkins
采用粉末x射线衍射、拉曼光谱和红外光谱研究了双分子、氢键、富氮能材料三胺胍- 1-甲基-5-亚胺四氮酸C(3)H(12)N(12)O(2) （TAG-MNT）在室温和高压等温压缩条件下的结构和化学性质。状态方程的加强和伴随的结构弛豫在6和14 GPa之间被发现与拉曼模式消失、频率不连续和模态压力依赖性的变化有关。这些观察结果表明发生了可逆的马氏体结构转变为新的结晶相。亚硝胺基中费米共振的发生和消失与态和相变方程的强化有关，表明两者之间可能存在联系。超过15gpa时，压力诱导不可逆的化学反应，最终在60gpa时形成聚合物相。
The structural and chemical properties of the bi-molecular, hydrogen-bonded, nitrogen-rich energetic material triaminoguanidinium 1-methyl-5-nitriminotetrazolate C(3)H(12)N(12)O(2) (TAG-MNT) have been investigated at room pressure and under high pressure isothermal compression using powder x-ray diffraction and Raman and infrared spectroscopy. A stiffening of the equation of state and concomitant structural relaxation between 6 and 14 GPa are found to correlate with Raman mode disappearances, frequency discontinuities, and changes in the pressure dependence of modes. These observations manifest the occurrence of a reversible martensitic structural transformation to a new crystalline phase. The onset and vanishing of Fermi resonance in the nitrimine group correlate with the stiffening of the equation of state and phase transition, suggesting a possible connection between these phenomena. Beyond 15 GPa, pressure induces irreversible chemical reactions, culminating in the formation of a polymeric phase by 60 GPa.