Terahertz spectroscopy investigation of Monosaccharide Polycrystal

摘要

THz transmission spectra of monosaccharide polycrystal were tested and analyzed based on terahertz time domain system and Fourier transformation infrared spectroscopy system. The characteristic absorption frequencies of of samples were acquired and their spectral results in two kinds THz systems were contrasted and discussed. Based on Density Functional Theory (DFT), Gaussian 09 molecule software and CASTEP crystal software were adopted to optimize samples structures and calculate their characteristic absorption frequencies. The simulation results are in better agreement with the experiment ones.