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  4. Solid-state NMR of a paramagnetic DIAD-Fe-II catalyst: Sensitivity, resolution enhancement, and structure-based assignments
 
research article

Solid-state NMR of a paramagnetic DIAD-Fe-II catalyst: Sensitivity, resolution enhancement, and structure-based assignments

Kervern, Gwendal
•
Pintacuda, Guido
•
Zhang, Yong
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2006
Journal of the American Chemical Society

A general protocol for the structural characterization of paramagnetic molecular solids using solid-state NMR is provided and illustrated by the characterization of a high-spin FeII catalyst precursor. We show how good NMR performance can be obtained on a molecular powder sample at natural abundance by using very fast (> 30 kHz) magic angle spinning (MAS), even though the individual NMR resonances have highly anisotropic shifts and very short relaxation times. The results include the optimization of broadband heteronuclear (proton-carbon) recoupling sequences for polarization transfer; the observation of single or multiple quantum correlation spectra between coupled spins as a tool for removing the inhomogeneous bulk magnetic susceptibility (BMS) broadening; and the combination of NMR experiments and density functional theory calculations, to yield assignments.

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Type
research article
DOI
10.1021/ja063510n
Web of Science ID

WOS:000241157600050

Author(s)
Kervern, Gwendal
Pintacuda, Guido
Zhang, Yong
Oldfield, Eric
Roukoss, Charbel
Kuntz, Emile
Herdtweck, Eberhardt
Basset, Jean-Marie
Cadars, Sylvian
Lesage, Anne
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Date Issued

2006

Publisher

AMER CHEMICAL SOC

Published in
Journal of the American Chemical Society
Volume

128

Issue

41

Start page

13545

End page

13552

Editorial or Peer reviewed

REVIEWED

Written at

OTHER

EPFL units
LRM  
Available on Infoscience
January 8, 2015
Use this identifier to reference this record
https://infoscience.epfl.ch/handle/20.500.14299/110074
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