CAJ | 학술논문

利用量子化学模拟计算六硝基茋的太赫兹频率吸收范围和特征吸收峰,分别位于1.9 THz和3.3 THz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茋在0.2～4.0 THz频谱范围内的吸收光谱峰值位置在1.7 THz和3.1 THz处.理论结果与实验结果的对比,表明六硝基茋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.
이용양자화학모의계산륙초기저적태혁자빈솔흡수범위화특정흡수봉,분별위우1.9 THz화3.3 THz처.이용태혁자시역광보기술화부리협홍외광보변환의실제측량적륙초기저재0.2～4.0 THz빈보범위내적흡수광보봉치위치재1.7 THz화3.1 THz처.이론결과여실험결과적대비,표명륙초기저재차파단유명현적특정흡수봉,병차이론여실험유흔호적일치성.
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 characteristic 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.