红外谱图中特征峰与对应子结构相互关系的确定

Establishment of Correspondence between Characteristic Peak and its Substructure in IR Spectra

采用子结构检索、公共子结构寻找和相似指数计算的方法研究了红外特征峰与对应子结构的相互关系。说明对大量谱图信息进行统计分析确定基团的特征峰 ,是一种行之有效的方法。

This paper introduces a method which determinate the characteristic peak of IR through substructure searching, common substructure spreading, similarity index calculating. It is effective and useful method to determinate characteristic peak of IR by statistic large spectrum information.