Solid-state NMR of a paramagnetic DIAD-FeII catalyst: sensitivity, resolution enhancement, and structure-based assignments.

Solid-state NMR of a paramagnetic DIAD-FeII catalyst: sensitivity, resolution enhancement, and structure-based assignments. Research Abstract Details 

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Solid-state NMR of a paramagnetic DIAD-FeII catalyst: sensitivity, resolution enhancement, and structure-based assignments. Abstract Text:

Gwendal Kervern,Guido Pintacuda,Yong Zhang,Eric Oldfield,Charbel Roukoss,Emile Kuntz,Eberhardt Herdtweck,Jean-Marie Basset,Sylvian Cadars,Anne Lesage,Christophe ,Lyndon Emsley,

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 Fe(II) 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.

Solid-state NMR of a paramagnetic DIAD-FeII catalyst: sensitivity, resolution enhancement, and structure-based assignments. Publishing Authors By Initials

G Kervern,G Pintacuda,Y Zhang,E Oldfield,C Roukoss,E Kuntz,E Herdtweck,JM Basset,S Cadars,A Lesage,C ,L Emsley,

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Solid-state NMR of a paramagnetic DIAD-FeII catalyst: sensitivity, resolution enhancement, and structure-based assignments. Journal Published:

PUBLICATION TYPE: Research Support, Non-U.S. Gov

Journal: Journal of the American Chemical Society

VOLUME: 128

Page Numbers: 13545-52

Journal Abbreviation: J. Am. Chem. Soc.

ISSN: 0002-7863

DAY: 18

MONTH: Oct

YEAR: 2006

Solid-state NMR of a paramagnetic DIAD-FeII catalyst: sensitivity, resolution enhancement, and structure-based assignments. Information

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LANGUAGE: eng

NlmUniqueID: 7503056

Solid-state NMR of a paramagnetic DIAD-FeII catalyst: sensitivity, resolution enhancement, and structure-based assignments. Keywords Mesh Terms:

KEYWORDS: Spin Labels

MESH TERMS: chemistry

Chemical & Substance for Abstract: Solid-state NMR of a paramagnetic DIAD-FeII catalyst: sensitivity, resolution enhancement, and structure-based assignments. Information

Substance Name: Deuterium

Registry Number: 7782-39-0

Grant and Affiliation Information for Solid-state NMR of a paramagnetic DIAD-FeII catalyst: sensitivity, resolution enhancement, and structure-based assignments.

AFFILIATION: Laboratoire de Chimie, UMR 5182 CNRS-ENS Lyon, Ecole Normale Supérieure de Lyon, 46 Allée d'Italie, 69364 Lyon Cedex 07, France.

Country: United States

AGENCY: United States NIGMS

GRANT: GM 50694

ACRONYM: GM

MEDLINETA: J Am Chem Soc

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