有机化学 ›› 2009, Vol. 29 ›› Issue (06): 848-857. 上一篇    下一篇

综述与进展

振动圆二色谱: 一种确定手性分子绝对构型的新方法

甘礼社; 周长新*   

  1. (浙江大学药学院现代中药研究所 杭州 310058)
  • 收稿日期:2008-09-17 修回日期:2008-10-22 出版日期:2009-06-20 发布日期:2009-06-20
  • 通讯作者: 周长新

Vibrational Circular Dichroism: A New Tool for the Determination of Absolute Configuration of Chiral Molecules

Gan, Lishe; Zhou, Changxin*   

  1. (Institute of Modern Chinese Medicine, College of Pharmaceutical Sciences, Zhejiang University, Hangzhou 310058)
  • Received:2008-09-17 Revised:2008-10-22 Online:2009-06-20 Published:2009-06-20
  • Contact: Zhou, Changxin

手性分子绝对构型的确定是一个极其重要且长期存在的问题. 振动圆二色谱是在红外波长区域测定分子圆二色性的一种新方法, 极大地扩展了圆二色谱的应用范围. 振动圆二色谱法通过构象搜索、量子化学计算等手段准确预测手性分子的振动圆二色谱图, 进而与实测谱图进行比较确定其绝对构型. 该方法已经得到了越来越广泛的应用, 必将成为一种有效测定手性分子绝对构型的常规方法.

关键词: 手性分子, 绝对构型, 量子化学计算, 振动圆二色谱

The determination of the absolute configuration (AC) of chiral molecules is an important issue in organic chemistry. Vibrational circular dichroism (VCD) is a useful technology to measure the circular dichroism of chiral molecules in the IR region, which remarkably expands the application of circular dichroism to the determination of AC. The AC of chiral molecules can be determined by comparison of the experimental VCD spectra with the theoretical VCD ones obtained on the basis of quantum chemical calculations.

Key words: chiral molecule, absolute configuration, quantum chemical calculation, vibrational circular dichroism