| β-丙氨酸的THz时域光谱研究 |
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| 引用本文： | 郑盈盈,李元波,王卫宁.β-丙氨酸的THz时域光谱研究[J].化学学报,2007,65(1):72-76. |
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| 作者姓名： | 郑盈盈 李元波 王卫宁 |
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| 作者单位： | 首都师范大学物理系,北京,100037 |
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| 基金项目： | 国家自然科学基金(No.10390160)，北京市教育委员会科技发展计划(No.KM200410028004)资助项目. |
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| 摘 要： | 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.
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| 关 键 词： | THz时域光谱 β-丙氨酸 扭转模式 量化计算 |
| 收稿时间： | 2006-2-14 |
| 修稿时间： | 2006-02-142006-09-18 |
THz Time Domain Spectrum of β-Alanine |
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| ZHENG, Ying-Ying,LI, Yuan-Bo,WANG,Wei-Ning.THz Time Domain Spectrum of β-Alanine[J].Acta Chimica Sinica,2007,65(1):72-76. |
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| Authors: | ZHENG Ying-Ying LI Yuan-Bo WANG Wei-Ning |
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| Institution: | Department of Physics, Capital Normal University, Beijing 100037 |
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| Abstract: | 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. |
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| Keywords: | THz time-domain spectroscopy β-alanine torsional vibrational mode quantization calculation |
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