Pressure-tuned vibrational resonance coupling of intramolecular fundamentals in ammonium azide (NH4N3)
Pressure-tuned vibrational resonance coupling of intramolecular fundamentals in ammonium azide (NH4N3)
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DOI：
10.1016/j.vibspec.2011.11.009
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发表时间：
2012-01-01
影响因子：
2.5
通讯作者：
Eremets, M. I.
中科院分区：
文献类型：
--
作者：
Medvedev, S. A.;Palasyuk, T.;Eremets, M. I.
利用压力依赖拉曼光谱研究了NH4N3分子离子晶体高压II相（3gpa以上）中n -3阴离子的对称拉伸和nh4阳离子的弯曲模式，其压力高达20gpa。在10 GPa以上的压力范围内，光谱显示了显著的谱带间强度转移和由N-3-和nh4离子之间的氢键介导的能级排斥（振动共振耦合的特征）。这些观察结果对势能表面的理论研究和研究铵盐中氢键的性质可能是有用的。关于铵离子的生物活性，所观察到的共振耦合可能与有机系统中的振动能量传递有关。(C) 2011 Elsevier B.V.版权所有
The peculiar behavior of the symmetric stretch of the N-3-anion and the bending mode of the NH4-cation in the high-pressure phase II (above 3 GPa) of the molecular ionic crystal NH4N3 has been studied by pressure-dependent Raman spectroscopy up to a pressure of 20 GPa. The spectra in the pressure range above 10 GPa reveal a remarkable intensity transfer between bands and a level repulsion (characteristic of vibrational resonance coupling) that is mediated by hydrogen bonding between the N-3- and NH4-ions. These observations may be useful for theoretical studies of the potential energy surface and for studying the nature of hydrogen bonding in ammonium salts. With respect to the biological activity of the ammonium ion, the observed resonance coupling may be relevant to vibrational energy transfer in organic systems. (C) 2011 Elsevier B.V. All rights reserved.