Direct Assessment of Electron Delocalization Using NMR Chemical Shifts

被引：46

作者：

Steinmann, Stephan N. ^{[1
]}

Jana, Daniel F. ^{[1
]}

Wu, Judy I-C ^{[2
]}

Schleyer, Paul von R. ^{[2
]}

Mo, Yirong ^{[3
]}

Corminboeuf, Clemence ^{[1
]}

机构：

[1] Ecole Polytech Fed Lausanne, Inst Sci & Ingn Chim, EPFL SB ISIC LCMD, CH-1015 Lausanne, Switzerland

[2] Univ Georgia, Dept Chem, Athens, GA 30602 USA

[3] Western Michigan Univ, Dept Chem, Kalamazoo, MI 49008 USA

来源：

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION | 2009年 / 48卷 / 52期

关键词：

aromaticity; conjugation; electron delocalization; NMR spectroscopy; ring current; INDUCED MAGNETIC-FIELD; RING CURRENTS; AROMATICITY; MOLECULES; CYCLOBUTADIENE; BENZENE; IGLO; NICS; DECOMPOSITION; INDICATORS;

D O I：

10.1002/anie.200905390

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

(figure represented) Probe it: The new BLW-ICLO approach evaluates the magnetic responses of molecules in which conjugative interactions are "disabled" (see picture, red bonds). The NMR spectroscopy parameters of the localized structures provide ideal non-aromatic olefinic hydrogen δ(1H) references for the fully conjugated systems. © 2009 Wiley-VCH Verlag GmbH & Co. KGaA.

引用

页码：9828 / 9833

页数：6

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