CALCULATION OF PROTON CHEMICAL-SHIFTS IN HYDROCARBONS

被引：12

作者：

ABRAHAM, RJ

EDGAR, M

GRIFFITHS, L

POWELL, RL

机构：

[1] ZENECA PHARMACEUT LTD,MACCLESFIELD SK10 2NA,CHESHIRE,ENGLAND

[2] ICI CHEM & POLYMERS LTD,RUNCORN WA7 4QD,CHESHIRE,ENGLAND

来源：

JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS | 1993年 / 20期

关键词：

D O I：

10.1039/c39930001544

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

A novel simple computational scheme based on partial atomic charges and involving an orientational dependence of electronegative substituents plus a steric contribution gives calculated proton chemical shifts for a variety of hydrocarbons in excellent agreement with the observed values.

引用

收藏

页码：1544 / 1545

页数：2

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