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High-resolution H-2 MAS NMR applied to deuterium analogs of hydrido eta(2)-dihydrogen complexes

Macholl, S. and Matthes, J. and Limbach, H. H. and Sabo-Etienne, S. and Chaudret, B. and Buntkowsky, G. (2009):
High-resolution H-2 MAS NMR applied to deuterium analogs of hydrido eta(2)-dihydrogen complexes.
36, In: Solid State Nuclear Magnetic Resonance, (3), pp. 137-143, [Online-Edition: http://apps.webofknowledge.com/full_record.do?product=WOS&se...],
[Article]

Abstract

H-2 solid-state, variable temperature magic angle spinning (MAS) NMR spectra of precipitated samples of the deutero dideuterium complexes Ru(D)(2)(eta(2)-D-2)(2)(PCy3)(2) and RuD(eta(2)-D-2)I(PCy3)(2) Cy = cyclohexyl are presented. They show that even at moderate MAS speed, high resolution is achieved at 7 and 14T allowing H-2 chemical shifts and quadrupole couplings to be obtained and assigned to different solid and gaseous H-2 species. These two parameters allow identifying chemically different hydrogen species in the material. The analysis of these parameters in this study reveals the presence of three different species in the sample, namely the complexes RuD(eta(2)-D-2)I(PCy3)(2) and RuD(eta(2)-D-2)(2)I(PCy3)(2). and highly mobile HD/D-2. These assignments are supported by H-2 T-1 relaxation times and P-31 MAS NMR spectra. Moreover, variable temperature MAS NMR spectra reveal temperature-dependent line-shape changes, which are clear indications of intramolecular hydrogen exchange of the deutero and the dideuterium ligands and which give an estimate for the activation energy of this process. (C) 2009 Elsevier Inc. All rights reserved.

Item Type: Article
Erschienen: 2009
Creators: Macholl, S. and Matthes, J. and Limbach, H. H. and Sabo-Etienne, S. and Chaudret, B. and Buntkowsky, G.
Title: High-resolution H-2 MAS NMR applied to deuterium analogs of hydrido eta(2)-dihydrogen complexes
Language: English
Abstract:

H-2 solid-state, variable temperature magic angle spinning (MAS) NMR spectra of precipitated samples of the deutero dideuterium complexes Ru(D)(2)(eta(2)-D-2)(2)(PCy3)(2) and RuD(eta(2)-D-2)I(PCy3)(2) Cy = cyclohexyl are presented. They show that even at moderate MAS speed, high resolution is achieved at 7 and 14T allowing H-2 chemical shifts and quadrupole couplings to be obtained and assigned to different solid and gaseous H-2 species. These two parameters allow identifying chemically different hydrogen species in the material. The analysis of these parameters in this study reveals the presence of three different species in the sample, namely the complexes RuD(eta(2)-D-2)I(PCy3)(2) and RuD(eta(2)-D-2)(2)I(PCy3)(2). and highly mobile HD/D-2. These assignments are supported by H-2 T-1 relaxation times and P-31 MAS NMR spectra. Moreover, variable temperature MAS NMR spectra reveal temperature-dependent line-shape changes, which are clear indications of intramolecular hydrogen exchange of the deutero and the dideuterium ligands and which give an estimate for the activation energy of this process. (C) 2009 Elsevier Inc. All rights reserved.

Journal or Publication Title: Solid State Nuclear Magnetic Resonance
Volume: 36
Number: 3
Uncontrolled Keywords: hydride dihydrogen ru complex 2h mas nmr exchange catalysis deuteration solid-state nmr 16-electron dihydrogen complexes molecular-hydrogen complexes transition-metal dihydrides ruthenium complexes proton-transfer sigma-bond p-31 nmr coordination chemistry rotating solids
Divisions: 07 Department of Chemistry
07 Department of Chemistry > Physical Chemistry
Date Deposited: 27 Oct 2014 20:46
Official URL: http://apps.webofknowledge.com/full_record.do?product=WOS&se...
Additional Information:

524AP Times Cited:5 Cited References Count:62

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