The C-13 chemical shift of the ipso carbon atom in phenyllithium

被引：22

作者：

Berger, S ^{[1
]}

Fleischer, U ^{[1
]}

Geletneky, C ^{[1
]}

Lohrenz, JCW ^{[1
]}

机构：

[1] RUHR UNIV BOCHUM, FACHBEREICH CHEM, D-44780 BOCHUM, GERMANY

来源：

CHEMISCHE BERICHTE-RECUEIL | 1995年 / 128卷 / 12期

关键词：

phenyllithium; solid-state NMR; chemical shift anisotropy; calculations; IGLO;

D O I：

10.1002/cber.19951281208

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Phenyllithium was labeled with Li-6 and C-13 at the ipso carbon atom, and the tetramer was measured by solid-state NMR. The chemical shift tensor data were obtained by a moment analysis of the spinning side bands and were compared with the results obtained by calculations with IGLO method. Although no splitting by dipolar spin coupling to Li-6 was found the very good agreement between IGLO predictions and experimental results allowed alignment of the tensor axis to the molecular frame and interpretation of the data. The large deshielding of the isotropic chemical shift is mainly due to a decrease of the Delta E term in sigma(p).

引用

页码：1183 / 1186

页数：4

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