中文摘要：

利用量子化学模拟计算六硝基芪的太赫兹频率吸收范围和特征吸收峰，分别位于1．9THz和3．3THz处。而用太赫兹时域光谱技术和傅里叶红外光谱变换仪实际测量的六硝基芪在0．2—4．0THz频谱范围内的吸收光谱峰值位置在1．7THz和3．1THz处。理论结果与实验结果的对比，表明六硝基芪在此波段有明显的特征吸收峰，并且理论与实验有很好的一致性。

英文摘要：

The absorption spectra of HNS, in the frequency range of 0.2 -4.0 THz, were calculated by using quantum chemistry calculation method,and the theoretical calculation results show that the eharacteristie peaks of HNS are located in 1.9 THz and 3.3 THz. The experimental results offered by THz time-domain spectroscopy technology and FTIR show that the characteristic peaks of HNS are located in 1.7 THz and 3.1 THz. The experimental results agree with the theoretical calculation results,which show that HNS has distinct characteristic absorption peaks in the frequency range of 0. 2 -4.0 THz.