Application of terahertz spectroscopy in THDCPD isomers detection
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摘要: 研究了太赫兹光谱技术在鉴别含能材料同分异构体中的应用。首先研制了适于特定工程应用的太赫兹时域光谱仪样机，并经过振动冲击、高低温试验验证了样机的环境适应性，表明该款样机完全可以在非实验室环境下稳定可靠地工作。利用一氧化碳标准气体验证了样机测量光谱的正确性，并同时实现了对样机测量频率的校准；利用校准后的光谱仪测量了四氢双环戊二烯的两种同分异构体endo-THDCPD和exo-THDCPD的太赫兹光谱，测量结果显示两种不同构型材料的太赫兹光谱存在显著差异，endo-THDCPD的太赫兹光谱在0.23 THz和1.70 THz处呈现出明显的特征吸收，exo-THDCPD的2个最明显的特征吸收峰则位于1.41 THz和1.74 THz。该结果表明：运用太赫兹光谱技术可有效区分这两种分子结构仅存在微弱差异的材料，对太赫兹光谱在含能材料研究领域的应用具有参考意义。Abstract: The application of terahertz spectroscopy in the identification of energetic material isomers was studied. Firstly, a terahertz time-domain spectrometer for specific engineering application was developed, and its environmental adaptability was verified by vibratory impulse and temperature variation experiments, which indicated the spectrometer could work stably and reliably in a non-laboratory environment. Secondly, the validity of spectrum measurement for the spectrometer was verified by carbon monoxide standard gas, and the calibration of measuring frequency was realized at the same time. The terahertz spectrum of two isomers endo-THDCPD and exo-THDCPD of THDCPD were measured by the calibrated spectrometer. The results show that there are significant differences between terahertz spectrum of two isomers. The terahertz spectrum of endo-THDCPD presents the obvious characteristic absorption at 0.23 THz and 1.70 THz, while the 2 most obvious characteristic absorption peaks of exo-THDCPD are at 1.28 THz and 1.60 THz. Therefore, the use of terahertz spectroscopy can effectively distinguish the two kinds of isomers with only slight difference, which has reference significance for the application of terahertz spectroscopy in the research field of energetic material.
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Keywords:
- terahertz /
- spectroscopy /
- isomer /
- THDCPD
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图 3 一氧化碳气体的太赫兹吸收光谱测量结果
Figure 3. Terahertz absorption spectrum measurement results of carbon monoxide gas
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图 4 endo-THDCPD和exo-THDCPD的太赫兹吸收光谱
Figure 4. Terahertz absorption spectrum of endo-THDCPD and exo-THDCPD
表 1 CO分子吸收频率实验值与标准值
Table 1 Experimental and standard data of CO molecular absorption frequency
J ′-J ″ 实验数据/THz 标准数据/THz 误差/THz 5-4 0.548 014 0.576 267 −0.028 253 6-5 0.659 673 0.691 473 −0.031 800 7-6 0.768 394 0.806 651 −0.038 257 8-7 0.878 585 0.921 799 −0.043 214 9-8 0.987 306 1.036 912 −0.049 606 10-9 1.098 966 1.151 985 −0.053 019 11-10 1.207 687 1.267 014 −0.059 327 12-11 1.317 877 1.381 995 −0.064 118 13-12 1.426 598 1.496 922 −0.070 324 14-13 1.535 32 1.611793 −0.076 473 15-14 1.644 041 1.726 602 −0.082 561 15-16 1.754 231 1.841 345 −0.087 114 16-17 1.865 891 1.956 018 −0.090 127 
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