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Correlations between V-51 solid-state NMR parameters and chemical structure of vanadium (V) complexes as models for related metalloproteins and catalysts

Fenn, A. and Wächtler, M. and Gutmann, T. and Breitzke, H. and Buchholz, A. and Lippold, I. and Plass, W. and Buntkowsky, G. (2009):
Correlations between V-51 solid-state NMR parameters and chemical structure of vanadium (V) complexes as models for related metalloproteins and catalysts.
In: Solid State Nuclear Magnetic Resonance, pp. 192-201, 36, (4), [Online-Edition: http://apps.webofknowledge.com/full_record.do?product=WOS&se...],
[Article]

Abstract

The parameters describing the quadrupolar and CSA interactions of V-51 solid-state MAS NMR investigations of model complexes mimicking vanadoenzymes as well as vanadium containing catalysts and enzyme complexes are interpreted with respect to the chemical structure. The interpretation is based on the data of 15 vanadium complexes including two new complexes with previously unpublished data and 13 complexes with data previously published by us, Correlations between the chemical structure and the V-51 solid-state NMR data of this class of compounds have been established. Especially for the isotropic chemical shift delta(iso) and the chemical shift anisotropy delta(sigma), correlations with specific structural features like the coordination number of the vanadium atom, the number of coordinating nitrogens, the number of oxygen atoms and the chemical surrounding of the complex could be established for these compounds. Moreover, quantitative correlations between the solid-state NMR parameters and specific bond angles and bond lengths have been obtained. Our results can be of particular interest for future investigations concerning the structure and the mode of action of related vanadoenzymes and vanadate protein assemblies, including the use of vanaclate adducts as transition state analogs for phosphate metabolizing systems. (C) 2009 Elsevier Inc. All rights reserved.

Item Type: Article
Erschienen: 2009
Creators: Fenn, A. and Wächtler, M. and Gutmann, T. and Breitzke, H. and Buchholz, A. and Lippold, I. and Plass, W. and Buntkowsky, G.
Title: Correlations between V-51 solid-state NMR parameters and chemical structure of vanadium (V) complexes as models for related metalloproteins and catalysts
Language: English
Abstract:

The parameters describing the quadrupolar and CSA interactions of V-51 solid-state MAS NMR investigations of model complexes mimicking vanadoenzymes as well as vanadium containing catalysts and enzyme complexes are interpreted with respect to the chemical structure. The interpretation is based on the data of 15 vanadium complexes including two new complexes with previously unpublished data and 13 complexes with data previously published by us, Correlations between the chemical structure and the V-51 solid-state NMR data of this class of compounds have been established. Especially for the isotropic chemical shift delta(iso) and the chemical shift anisotropy delta(sigma), correlations with specific structural features like the coordination number of the vanadium atom, the number of coordinating nitrogens, the number of oxygen atoms and the chemical surrounding of the complex could be established for these compounds. Moreover, quantitative correlations between the solid-state NMR parameters and specific bond angles and bond lengths have been obtained. Our results can be of particular interest for future investigations concerning the structure and the mode of action of related vanadoenzymes and vanadate protein assemblies, including the use of vanaclate adducts as transition state analogs for phosphate metabolizing systems. (C) 2009 Elsevier Inc. All rights reserved.

Journal or Publication Title: Solid State Nuclear Magnetic Resonance
Volume: 36
Number: 4
Uncontrolled Keywords: vanadate model system v-51 nmr cis-dioxovanadium (v) complex substituted n-salicylidenehydrazides anisotropic shielding tensors fungus curvularia-inaequalis aluminum orthovanadate alvo4 density-functional theory schiff-base ligand x-ray-structure dependent haloperoxidases supramolecular interactions dioxovanadium(v) complexes
Divisions: 07 Department of Chemistry
07 Department of Chemistry > Physical Chemistry
Date Deposited: 27 Oct 2014 20:39
Official URL: http://apps.webofknowledge.com/full_record.do?product=WOS&se...
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555WI Times Cited:9 Cited References Count:73

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