物理化学学报 >> 2011, Vol. 27 >> Issue (12): 2743-2748.doi: 10.3866/PKU.WHXB20112743

热力学,动力学和结构化学 上一篇    下一篇

L-和DL-福多司坦的太赫兹光谱分析

赵容娇, 何金龙, 李璟, 郭昌盛, 杜勇, 洪治   

  1. 中国计量学院太赫兹技术与应用研究所, 杭州 310018
  • 收稿日期:2011-07-26 修回日期:2011-09-19 发布日期:2011-11-25
  • 通讯作者: 李璟 E-mail:lijing@cjlu.edu.cn
  • 基金资助:

    国家自然科学基金(61001064)和浙江省自然科学基金(Y1090912)资助项目

Terahertz Time-Domain Spectroscopy of L- and DL-Fudosteine

ZHAO Rong-Jiao, HE Jin-Long, LI Jing, GUO Chang-Sheng, DU Yong, HONG Zhi   

  1. Centre for Terahertz Research, China Jiliang University, Hangzhou 310018, P. R. China
  • Received:2011-07-26 Revised:2011-09-19 Published:2011-11-25
  • Contact: LI Jing E-mail:lijing@cjlu.edu.cn
  • Supported by:

    The project was supported by the National Natural Science Foundation of China (61001064) and Natural Science Foundation of Zhejiang Province, China (Y1090912).

摘要: 利用太赫兹时域光谱技术(THz-TDS)在室温下对L-福多司坦和DL-福多司坦进行测量, 发现L-和DL-福多司坦在THz 波段都有特征吸收峰, 且两者的吸收谱有明显差异. 运用密度泛函理论的B3LYP 方法计算了L-和DL-福多司坦在太赫兹波段的吸收谱, 并对L-和DL-福多司坦的特征吸收峰进行了指认, 理论计算与实验结果基本吻合. 此外, 还对福多司坦胶囊成品药进行了测量, 发现该胶囊的吸收谱与L-福多司坦非常吻合, 证明胶囊药的主要成分为L-福多司坦. 这项研究对手性物质的检测以及化合物有效成分的鉴别有一定的参考作用.

关键词: L-、DL-福多司坦, 太赫兹光谱, 密度泛函理论, 振动模式

Abstract: The absorption spectra of L- and DL-Fudosteine were measured using terahertz time-domain (THz-TDS) system at room temperature. Experimental results show that L- and DL-Fudosteine both have distinct fingerprint spectra in the THz region and their characteristics are different from each other. The absorption frequencies for the vibration and rotation of Fudosteine in the THz spectral range were simulated and the results are consistent with the experimental results. We also interpret the origin of the absorption peaks using a simulation. Finally, the absorption spectra of the Fudosteine capsule, pure L-Fudosteine and DL- Fudosteine are compared. The results verify that the main component of the capsule is L-Fudosteine. This study provides a reference for the analysis of the main ingredients of compounds.

Key words: L-, DL-Fudosteine, Terahertz spectrum, Density functional theory, Vibration mode

MSC2000: 

  • O641