1H and 13C chemical shifts for bis(benzopyridinium) dibromides with semirigid aromatic linkers

被引：4

作者：

Campos, J ^{[1
]}

Díaz, JJ ^{[1
]}

Núñez, MC ^{[1
]}

Entrena, A ^{[1
]}

Gallo, MA ^{[1
]}

Espinosa, A ^{[1
]}

机构：

[1] Univ Granada, Fac Farm, Dept Quim Organ & Farmaceut, E-18071 Granada, Spain

来源：

MAGNETIC RESONANCE IN CHEMISTRY | 2002年 / 40卷 / 08期

关键词：

NMR; H-1; C-13; 2D NMR; bisquinolinium dibromides; bisisoquinolinium dibromides; AM1; Hamiltonian;

D O I：

10.1002/mrc.1050

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The H-1 and C-13 NMR resonances for four bisquinolinium and four bisisoquinolinium dibromides were completely and unequivocally assigned, using the concerted application of one- and two-dimensional NMR techniques including nuclear Overhauser effect difference, DEPT, COSY, HETCOR and long-range C-13-H-1 correlation spectroscopy. Atomic charges of the heterocyclic moieties of model cations such as 1-methylquinolinium and 2-methylisoquinolinium are shown to be linearly related to the C-13 chemical shifts of the cationic heads of the title compounds. Copyright (C) 2002 John Wiley Sons, Ltd.

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收藏

页码：554 / 556

页数：3

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