太赫兹辐射
光谱学
太赫兹时域光谱学
密度泛函理论
红外光谱学
吸收(声学)
分子振动
吸收光谱法
太赫兹光谱与技术
分子
材料科学
红外线的
分子物理学
化学
分析化学(期刊)
计算化学
光学
物理
光电子学
量子力学
色谱法
复合材料
有机化学
作者
Tongjun Zhang,Tao Anli,Shasha Yan
标识
DOI:10.1109/icbbe.2008.280
摘要
Terahertz time-domain spectroscopy has been used to measure the characteristic spectra of the similarly structured mono-saccharides D-glucose and D-galactose in the polycrystalline state at room temperature. A number of well- resolved absorption peaks were observed in the frequency range 0.2-3.0 THz, which are interpreted as originating from inter- and intra-molecular vibrational modes. In parallel with the experimental study, density functional theory (DFT) was first applied to obtain structure and vibrational frequencies of the isolated galactose molecule in terahertz region. The calculated results are fitted reasonable with the experimental data. Observed vibrational frequencies have been interpreted using DFT. The comparison between experimental and theoretical study shows that far-infrared absorption features are highly sensitive to the structure and spatial arrangement of the molecules. This work also demonstrated that THz-TDS is a potentially important tool in understanding the collective vibrational modes and conformational structures of molecules.
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