A simple method for analyzing 51V solid-state NMR spectra of complex systems

被引：4

作者：

Fenn, Annika ^{[2
]}

Waechtler, Maria ^{[2
]}

Breitzke, Hergen ^{[1
]}

Buchholz, Axel ^{[3
]}

Lippold, Ines ^{[3
]}

Plass, Winfried ^{[3
]}

Buntkowsky, Gerd ^{[1
]}

机构：

[1] Tech Univ Darmstadt, Eduard Zintl Inst Anorgan & Phys Chem, D-64287 Darmstadt, Germany

[2] Univ Jena, Inst Phys Chem, D-07743 Jena, Germany

[3] Univ Jena, Inst Anorgan & Analyt Chem, D-07745 Jena, Germany

来源：

SOLID STATE NUCLEAR MAGNETIC RESONANCE | 2011年 / 40卷 / 02期

关键词：

Vanadate; Model system; V-51-NMR; Satellite transitions; MODELING SUPRAMOLECULAR INTERACTIONS; SUBSTITUTED N-SALICYLIDENEHYDRAZIDES; VANADIUM-DEPENDENT HALOPEROXIDASES; ANISOTROPIC SHIELDING TENSORS; FUNGUS CURVULARIA-INAEQUALIS; DENSITY-FUNCTIONAL THEORY; STRUCTURAL-CHARACTERIZATION; DIOXOVANADIUM(V) COMPLEXES; CHEMICAL-SHIFTS; OXOVANADIUM(V) COMPLEXES;

D O I：

10.1016/j.ssnmr.2011.05.001

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Five vanadium complexes as models for biological systems were investigated using V-51-MAS-NMR spectroscopy. All spectra show an uncommon line shape, which can be attributed to a shorter relaxation time of the satellite transition in contrast to the central one. A method for the reliable analysis of such kind of spectra is presented for the first time and the most important NMR parameters of the investigated complexes (quadrupolar coupling constant C-Q, asymmetry of the EFG tensor eta(Q), isotropic chemical shift delta(iso),chemical shift anisotropy delta(sigma) and asymmetry of the CSA tensor eta(sigma)) are presented. These results are of particular importance with respect to the analysis of the V-51-MAS-NMR spectra of vanadium moieties in biological matrices such as vanadium chloroperoxidase, which show hitherto unexplained low intensity of the satellite sideband pattern. (C) 2011 Elsevier Inc. All rights reserved.

引用

页码：60 / 65

页数：6

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