29Si DFT/NMR observation of spin-orbit effect in metallasilatrane sheds some light on the strength of the metal→silicon interaction

Lionel A. Truflandier; Erica Brendler; Jörg Wagler; Jochen Autschbach

doi:10.1002/anie.201005431

²⁹Si DFT/NMR observation of spin-orbit effect in metallasilatrane sheds some light on the strength of the metal→silicon interaction

Lionel A. Truflandier
, Erica Brendler
, Jörg Wagler
, Jochen Autschbach

Chemistry

SUNY Buffalo
Freiberg University of Mining and Technology

Research output: Contribution to journal › Article › peer-review

70 Scopus citations

Abstract

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.

Original language	English
Pages (from-to)	255-259
Number of pages	5
Journal	Angewandte Chemie - International Edition
Volume	50
Issue number	1
DOIs	https://doi.org/10.1002/anie.201005431
State	Published - Jan 3 2011

Keywords

heterometallic complexes
nickel
NMR spectroscopy
relativistic effects
silicon

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title = "29Si DFT/NMR observation of spin-orbit effect in metallasilatrane sheds some light on the strength of the metal→silicon interaction",

abstract = "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.",

keywords = "heterometallic complexes, nickel, NMR spectroscopy, relativistic effects, silicon",

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T1 - 29Si DFT/NMR observation of spin-orbit effect in metallasilatrane sheds some light on the strength of the metal→silicon interaction

AU - Truflandier, Lionel A.

AU - Brendler, Erica

AU - Wagler, Jörg

AU - Autschbach, Jochen

PY - 2011/1/3

Y1 - 2011/1/3

N2 - 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.

AB - 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.

KW - heterometallic complexes

KW - nickel

KW - NMR spectroscopy

KW - relativistic effects

KW - silicon

UR - https://www.scopus.com/pages/publications/78650685877

U2 - 10.1002/anie.201005431

DO - 10.1002/anie.201005431

M3 - Article

AN - SCOPUS:78650685877

SN - 1433-7851

VL - 50

SP - 255

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JO - Angewandte Chemie - International Edition

JF - Angewandte Chemie - International Edition

IS - 1

ER -

²⁹Si DFT/NMR observation of spin-orbit effect in metallasilatrane sheds some light on the strength of the metal→silicon interaction

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Keywords

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