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.