29Si DFT/NMR Observation of Spin-Orbit Effect in Metallasilatrane Sheds Some Light on the Strength of the Metal→Silicon Interaction

被引：64
作者：
Truflandier, Lionel A. [2 ]
Brendler, Erica [3 ]
Wagler, Joerg [1 ]
Autschbach, Jochen [2 ]
机构：
[1] Tech Univ Bergakad Freiberg, Inst Anorgan Chem, D-09596 Freiberg, Germany
[2] SUNY Buffalo, Dept Chem, Buffalo, NY 14260 USA
[3] Tech Univ Bergakad Freiberg, Inst Analyt Chem, D-09596 Freiberg, Germany
来源：
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION | 2011年 / 50卷 / 01期
基金：
美国国家科学基金会;
关键词：
heterometallic complexes; nickel; NMR spectroscopy; relativistic effects; silicon; DENSITY-FUNCTIONAL CALCULATIONS; HEAVY-METAL COMPOUNDS; COUPLING-CONSTANTS; CHEMICAL-SHIFTS; ALTERNATIVE LIGANDS; TRIPOD-LIGANDS; NMR-SPECTRA; COMPLEXES; APPROXIMATION; BOND;
D O I：
10.1002/anie.201005431
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
SO what? Spectral features caused by relativistic effects on chemical shift tensors are not always looked for in solid-state NMR spectroscopy. Slow-rotation 29Si magic-angle spinning (MAS) NMR measurements on the triad [ClTM(μ-mt)4SiCl] (TM=Pt, Pd, Ni; mt=2-mercapto-1- methylimidazolide) reveal that heavy-atom spin-orbit (SO) coupling has a dramatic impact on the 29Si NMR spectral peak shape. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
引用
收藏
页码：255 / 259
页数：5
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