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化学学报
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化学学报 ›› 2009, Vol. 67 ›› Issue (16): 1917-1922. 上一篇    下一篇

研究论文

二维相关分析中参考谱的选择对分离重叠峰的影响

王梦吟 赖祖亮 武培怡*

  

  1. (复旦大学高分子科学系和先进材料实验室 聚合物分子工程教育部重点实验室 上海 200433)

  • 投稿日期:2008-10-23 修回日期:2009-02-16 发布日期:2009-08-28
  • 通讯作者: 武培怡

Effect of Selection of Reference Spectrum on the Separation of Overlapped Peaks

Wang, Mengyin Lai, Zuliang Wu, Peiyi*

  

  1. (Department of Macromolecular Science and Advanced Materials Laboratory, Key Laboratory of Polymer Engineering
    Science (Ministry of Education), Fudan University, Shanghai 200433)
  • Received:2008-10-23 Revised:2009-02-16 Published:2009-08-28
  • Contact: Wu, Peiyi

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被引次数

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二维相关光谱是一项将光谱强度看作两个独立的光谱变量的函数的技术, 它是由动态光谱经过数学转化后得到的. 在扰动过程中, 动态光谱等于实际测得的光谱减去参考谱, 参考谱的选择是任意的, 甚至可以为0, 但是在实际应用时, 人们逐渐发现参考谱的选择会对二维相关光谱产生一定的影响. 本篇文章采用模拟的方法, 建立光谱模型, 光谱强度按e指数形式单调变化, 比较以平均谱为参考谱和不设参考谱得到的二维相关光谱图, 分析它们的区别, 在不同参考谱条件下, 利用二维相关光谱分离重叠峰, 得到的结果也不相同, 将两种条件综合利用可以得到更多更正确的信息.

关键词: 二维相关光谱, 参考谱, 重叠峰

2D correlation spectroscopy is a technique where the spectral intensity is defined as a function of two independent spectral variables. With an external perturbation, the selection of the reference spectrum may affect the results of 2D correlation analysis. In many cases, 2D correlation spectroscopy has been used to separate highly overlapped peaks. In this report, the effects of separation have been tested in the generalized situations using simulated spectra with different reference spectra and assuming the intensity changes of bands take the exponential forms. It has been found that it provides more useful information by using time-averaged reference and none reference at the same time.

Key words: 2D correlation spectroscopy, reference spectrum, overlapped band