高等学校化学学报

高等学校化学学报 ›› 1987, Vol. 8 ›› Issue (3): 265.

• 研究简报 • 上一篇    下一篇

核磁AA'BB'氢谱体系的图谱解析程序

周哲人   

  1. 南开大学化学系
  • 收稿日期:1985-10-30 出版日期:1987-03-24 发布日期:1987-03-24

Program for Spectral Analysis of NMR AA' BB' Proton System

Zhou Zheren   

  1. Department of Chemistry, Nankai University, Tianjin
  • Received:1985-10-30 Online:1987-03-24 Published:1987-03-24

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摘要： 核磁AA′BB′氢谱体系图谱全部分辨时共有28条谱线,相互关系复杂,计算繁难。借助群论可大大简化计算,且便于识别谱线归属和获取谱参数,特别适于计算机解析。基本原理AA′BB′氢谱体系可组成16个初始基函数,其构型特征具有二重对称性。

Abstract: A computer program for spectral analysis of NMR AA'BB' proton system is presented for routine application. The problems to simplify calculations in applying group theory method, to acquire spectral parameters and recognize the origin of every spectral line by the use of sub-spectral method are discussed.

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