Terahertz spectroscopic investigations of caffeine and 3-acetylmorphine

详细信息    查看全文

• 作者：Jingling Shen ; Guangqin Wang ; Dejun Jiang ; Laishun Liang ; Xiaoyu Xu
• 关键词：THz time-domain spectroscopy ; Illicit drugs ; Density function theory ; Hartree– ; Fork ; Vibrational modes
• 刊名：Optik - International Journal for Light and Electron Optics
• 出版年：2010
• 出版时间：October 2010
• 年：2010
• 卷：121
• 期：18
• 页码：1712-1716
• 全文大小：283 K

文摘

Experimental and theoretical investigations of THz spectral features of caffeine and 3-acetylmorphine in the region of 0.2–2.6 THz have been presented. The refractive indices and absorption coefficients of the two drugs were obtained by a terahertz time-domain spectroscopy (THz-TDS) technique. The simulated absorption spectra using the density functional theory (DFT) and Hartree–Fork (HF) are in agreement with the experimental data. The observed spectral absorption features were assigned based on DFT and HF calculation.