烟酸和烟酰胺及烟碱的太赫兹光谱研究  

Study on THz Spectra of Nicotinic Acid,Nicotinamide and Nicotine

作　　者：于斌[1] 黄振[1] 王晓燕[1] 赵国忠[1] 

机构地区：[1]首都师范大学物理系,北京市太赫兹波谱与成像重点实验室,太赫兹光电子学省部共建教育部重点实验室,北京100048

出　　处：《光谱学与光谱分析》2009年第9期2334-2337,共4页Spectroscopy and Spectral Analysis

基　　金：国家自然科学基金项目(10474067);北京市自然科学基金项目(1092007);国家基础研究重大项目(973)计划(2007CB310408,2006CB302901);北京市教育委员会高等教育人才强教计划资助

摘　　要：研究了室温条件下结构相似的烟酸和烟酰胺以及烟碱的太赫兹光谱。测量了它们的时间分辨光谱,通过傅里叶变换获得了它们的频谱,从而得到了频谱响应和折射率色散关系。实验结果表明,烟碱在太赫兹波段无明显的特征频谱响应,而烟酸和烟酰胺在太赫兹波段存在明显的特征频谱响应。用密度泛函理论(DFT)计算了烟酸和烟酰胺的太赫兹频谱,对它们的吸收峰产生的原因做了初步分析,认为烟酸吸收峰的产生是由于分子内部的扭转和摇摆所造成的,而烟酰胺的吸收峰(除1.93 THz以外)是由于分子间的相互作用和光声子模式而造成的。结果表明,数值模拟和实验结果相结合,可以用来分析烟酸和烟酰胺的分子结构和分子振动模式。The terahertz （THz） spectra of nicotinic acid, nicotinamide and nicotine were studied at room temperature. The timedomain THz spectra were measured. The frequency-domain spectra were obtained by fast Fourier transform （FFT）. The spectral response and the dispersive relationship of refractive index in THz spectral range were obtained. The results show that the samples have obvious spectral response in THz spectral range except nicotine. The corresponding stimulated spectra were given by using density functional theory （DFT） method for both nicotinamide and nicotinic acid. The origin of the absorption peaks of nicotinic acid and nicotinamide was explored. It is thought that the absorption peak of nicotinic acid is caused by the torsion and wagging of the molecule, but the absorption peaks of nicotinamide （except 1.93 THz） are caused by intermolecular or phonon mode. It was shown that the molecule structure and vibrational modes of nicotinic acid and nicotinamide can be analyzed by the combination of simulation and experimental results.

关 键 词：太赫兹 光谱 烟酸 烟酰胺 密度泛函理论 

分 类 号：O433.5[机械工程—光学工程]