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Solid-State NMR of a Paramagnetic DIAD-Fell Catalyst: Sensitivity, Resolution Enhancement, and Structure-Based Assignments.
- Source :
-
Journal of the American Chemical Society . 10/18/2006, Vol. 128 Issue 41, p13545-13552. 8p. 2 Diagrams, 2 Charts, 5 Graphs. - Publication Year :
- 2006
-
Abstract
- 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. [ABSTRACT FROM AUTHOR]
Details
- Language :
- English
- ISSN :
- 00027863
- Volume :
- 128
- Issue :
- 41
- Database :
- Academic Search Index
- Journal :
- Journal of the American Chemical Society
- Publication Type :
- Academic Journal
- Accession number :
- 23177944
- Full Text :
- https://doi.org/10.1021/ja063510n