LINEAR CORRELATION OF (13C)-NUCLEAR RESONANCE FREQUENCIES WITH LCAO-MO-PI-ELECTRON DENSITIES IN SUBSTITUTED BENZONITRILES

被引：32

作者：

WEHRLI, FW

DEHAAN, JW

KEULEMAN.AI

EXNER, O

SIMON, W

机构：

[1] Organisch-chemisches Laboratorium, Eidgenössischen Technishcen Hochschule, Zürich

[2] Laboratorium voor Instrumentele Analyse, Technishce Hogeschool, Eindhoven

[3] Czechoslovak Academy of Sciences, J Heyrovsky Polarographic Institute

[4] Laboratorium für Organische Chemie, ETH, Zürich

来源：

HELVETICA CHIMICA ACTA | 1969年 / 52卷 / 01期

关键词：

D O I：

10.1002/hlca.19690520110

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The 13C NMR. spectra of seventeen m‐ and p‐ subsituted benzonitriles were examined and partially anlayzed. The C‐1 carbon shieldings can be expressed in terms of a linear correlation with the LCAO‐MO‐π‐electron density at C‐1. No such correlation was found for the cyanocarbon, whose electron density shows only slight varriations for the different substitutents. This fact is consistent with the relatively small range of the chemical shifts at this center. Copyright © 1969 Verlag GmbH & Co. KGaA, Weinheim

引用

页码：103 / &

共 22 条

[1] PI-INDUCTIVE EFFECT . APPLICATION TO PI-ELECTRON DISTRIBUTIONS IN MONOSUBSTITUTED BENZENES [J].