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化学学报
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化学学报 ›› 2007, Vol. 65 ›› Issue (1): 72-76. 上一篇    下一篇

研究简报

β-丙氨酸的THz时域光谱研究

郑盈盈, 李元波, 王卫宁*   

  1. (首都师范大学物理系 北京 100037)
  • 投稿日期:2006-02-14 修回日期:2006-07-01 发布日期:2007-01-14
  • 通讯作者: 王卫宁

THz Time Domain Spectrum of β-Alanine

ZHENG Ying-Ying; LI Yuan-Bo; WANG Wei-Ning*   

  1. (Department of Physics, Capital Normal University, Beijing 100037)
  • Received:2006-02-14 Revised:2006-07-01 Published:2007-01-14
  • Contact: WANG Wei-Ning

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运用THz时域光谱测试技术(THz-TDS)与理论模拟相结合的方法, 研究了β-丙氨酸在THz波段的光谱特性. 在室温氮气环境中, 得到了样品在0.2～2.4 THz波段的吸收谱和折射率谱, 表明其特征吸收峰位于2.11 THz处, 平均折射率为1.96. 同时利用Gaussian 03软件的半经验理论计算了该分子在0.1～10.0 THz的振动吸收谱, 其在0.2～2.4 THz波段的吸收峰与实验相互对应, 且峰位符合较好. 研究了分子低频的振动模式, 并给出了分子的构象参数.

关键词: THz时域光谱, β-丙氨酸, 扭转模式, 量化计算

This paper reported the theoretical and experimental vibrational spectra of β-alanine in the frequency range from 0.2 to 2.4 THz (FIR) respectively. Under the room temperature and nitrogen conditions, the absorption peak was found at 2.11 THz and the average refractive index of the pure sample was 1.96 based on the terahertz time-domain spectroscopy (THz-TDS). The absorption spectrum of β-alanine from 0.1 to 10.0 THz was simulated by PM3 algorithm of semiempiricism. The agreement between the measured and theoretical results shows the torsional vibrational modes and the structural parameters of the sample.

Key words: THz time-domain spectroscopy, β-alanine, torsional vibrational mode, quantization calculation