含能离子盐的太赫兹光谱研究

在传统硝基含能材料研究的基础上,进一步探索含能离子盐类物质的太赫兹波谱特性,拓宽太赫兹波技术在安全检测领域的应用研究范围,对新型含能离子盐(5-ATN,BMDATHBT)进行了太赫兹时域光谱和傅里叶变换红外光谱的实验测量,得到样品在0.5～8.0 THz范围内的吸收频谱.基于密度泛函理论,采用Gaussian 03及M...

THz spectroscopic investigation of energetic ion salt

In order to further explore the terahertz spectrum characteristics of energetic ion salts on the basis of the research on traditional nitro energetic materials, and extend applicable scope of terahertz wave technology in the study of safety testing field, experimental measurement and theoretical analysis of THz spectrum for new energetic ion salts (5-ATN and BMDATHBT) were introduced. The absorption coefficient of the samples was measured in the region of 0.5-2.0 THz by time-domain spectroscopy and by Fourier transform infrared spectroscopy in the 2.0-8.0 THz region. Using the density functional theory methods, the vibration characteristics were simulated by Gaussian 03 and Materials Studio 4.3. The simulated spectrum of samples is in agreement with the experimental data. The result showed that ion salts have the typical absorption peaks that have close relation with the tribal structure, and the interaction between particles and the single skeleton vibrations of individual ion are the main reason for energetic ion salt to form absorption peak in terahertz band, which provides references for detecting high nitrogen compounds by terahertz technique.