两种晶体己醛糖的太赫兹时域光谱研究  

Terahertz time-domain spectroscopy of two crystalline aldohexoses

作　　者：张同军[1] 侯迪波[1] 曹丙花[1] 周泽魁[1] 

机构地区：[1]浙江大学控制科学与工程系,浙江杭州310027

出　　处：《浙江大学学报（工学版）》2008年第4期579-582,共4页Journal of Zhejiang University：Engineering Science

基　　金：国家自然科学基金资助项目(60374051)

摘　　要：利用太赫兹时域光谱（THz-TDS）技术测量了室温下差向异构体D-葡萄糖和D-甘露糖在0.2-3.0 THz下的高分辨率吸收谱和折射率谱.两种己醛糖的吸收谱表现出明显不同的特征,这些吸收特征来源于分子内和分子间的集体振动模式.运用密度泛函理论（DFT）,计算了孤立葡萄糖分子的结构及其在太赫兹波段的振动频率,并根据计算结果对实验数据进行了分析,计算结果与实验光谱吻合得很好.实验和理论研究的对比表明,分子的远红外吸收特征对分子的结构和空间排列非常敏感;THz-TDS是研究生物分子集体振动模式和构象结构的有效方法.Terahertz time-domain spectroscopy （THz-TDS） was used to measure the absorption coefficient and the refractive index of the similarly structured aldohexoses D-glucose and D-mannose in their polycrystalline states at room temperature. A number of well-resolved absorption peaks were observed in the frequency range of 0.2-3.0 THz, which were interpreted as originating from inter- and intra-molecular vibrational modes. Density functional theory （DFT） was applied to obtain the structure and vibrational frequencies of the isolated glucose molecule in terahertz region. Calculated results were in reasonable agreement with the experimental data. The comparison between the experimental and theoretical results shows that the far-infrared absorption features are highly sensitive to the structure and spatial arrangement of molecules. THz-TDS is a potentially important tool in understanding the collective vibrational modes and eonformational structures of bio-molecules.

关 键 词：太赫兹时域光谱 己醛糖 密度泛函理论 氢键 

分 类 号：TP274[自动化与计算机技术—检测技术与自动化装置] O434.3[自动化与计算机技术—控制科学与工程]