期刊论文

Study of the ￣(13)C-NMR Chemical Shifts of Natural Coumarin Derivatives Ⅰ.Quantitative Correlation between Substituent Effect Factor and Chemical Shift

中文

中南林学院学报

Journal of Central South Forestry University

1995

2

144-150

本校为其他机构

通过模型化合物＾１３Ｃ－ＮＭＲ化学位移的经验取代基参数，对天然香豆素衍生＾１３Ｃ－ＮＭＲ化学位移，进行了系统的研究。结果表明，模型化合物的取代基参数，与香豆素衍生物的化学位移具有良好的线性关系。从而提出了香豆素取代基效应因子，建立了香豆素衍生物＾１３Ｃ－ＮＭＲ化学位移与取代基效应因子的定量关系式。用于计算和预测香豆素的化学位移。

In this paper,the13C-NMR chemical shifts of natural coumarin derivatives have been systematically studied with the experiential substituent parameters of a model compound's 13C-NMR chemical shifts.The findings indicate that the substituent parameters of the model compound correlate linearly with the 13C-NMR chemical shifts of corresponding coumarin derivatives very well.Thereby,the substituent effect factor of coumarin is put forward,and the quantitative formulas between the 13C-NMR chemical shift of coumarin derivatives and the substituent effect factor are established.The formulas can be use...