Journal ArticleDOI
51V MAS NMR Investigation of 51V Quadrupole Coupling and Chemical Shift Anisotropy in Divalent Metal Pyrovanadates
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TLDR
In this paper, the magnitude and relative orientation of 51V quadrupole coupling and chemical shift tensors were determined from 51V magic-angle spinning (MAS) NMR spectra at 14.1 T for seven divalent metal pyrovanadates.Abstract:
Magnitudes and relative orientations of 51V quadrupole coupling and chemical shift tensors have been determined from 51V magic-angle spinning (MAS) NMR spectra at 14.1 T for seven divalent metal pyrovanadates: α- and β-Mg2V2O7, Ca2V2O7, α-Zn2V2O7, Cd2V2O7, BaCaV2O7, and α-BaZnV2O7. This has been accomplished by least-squares fitting of the integrated spinning sideband intensities observed for the central and satellite transitions employing spectral widths up to 4 MHz. Numerical error analysis of the optimized data reveals that the five NMR parameters characterizing the magnitudes of the quadrupole coupling and chemical shift tensors are obtained with high precision while somewhat larger error limits are observed for the three Euler angles, describing the relative orientation of the two tensors. The optimized data exhibit a significantly higher precision when compared to earlier reported parameters for some of the pyrovanadates, determined from 51V static-powder or MAS NMR of the central transition only. ...read more
Citations
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Journal ArticleDOI
Practical aspects of 51V and 93Nb solid-state NMR spectroscopy and applications to oxide materials
Journal ArticleDOI
Cooperative mechanisms of oxygen vacancy stabilization and migration in the isolated tetrahedral anion Scheelite structure
Xiaoyan Yang,Alberto J. Fernández-Carrión,Jiehua Wang,Florence Porcher,Franck Fayon,Mathieu Allix,Xiaojun Kuang +6 more
TL;DR: This finding reveals the ability of Scheelite structure to transport oxide ion through vacancies or interstitials, emphasizing the possibility to develop oxide-ion conductors with parallel vacancy and interstitial doping strategies within the same tetrahedra-based structure type.
Journal ArticleDOI
51V solid-state magic angle spinning NMR spectroscopy and DFT studies of oxovanadium(V) complexes mimicking the active site of vanadium haloperoxidases.
Neela Pooransingh,Ekaterina Pomerantseva,Martin Ebel,Sven Jantzen,Dieter Rehder,Tatyana Polenova +5 more
TL;DR: A combination of (51)V solid-state NMR and computational methods is beneficial for investigation of the electrostatic and geometric environment in diamagnetic vanadium systems with moderate quadrupolar anisotropies.
Journal ArticleDOI
51V solid-state magic angle spinning NMR spectroscopy of vanadium chloroperoxidase
† Neela Pooransingh-Margolis,Rokus Renirie,Zulfiqar Hasan,Ron Wever,and Alexander J. Vega,Tatyana Polenova +5 more
TL;DR: The work reported in this manuscript is the first example of 51V solid-state NMR spectroscopy applied to probe the vanadium center in a protein directly, and is expected to be generally applicable for studies of diamagnetic vanadium sites in metalloproteins.
Book ChapterDOI
Vanadium-51 NMR
TL;DR: The use of vanadium compounds in catalysis, and the biological and medicinal implications of the element vanadium, have initiated extensive studies into NMR characteristics of natural and model systems, revealing information on the (coordination) environment of inorganic, organic, and coordination compounds as discussed by the authors.
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Journal ArticleDOI
Oxidative dehydrogenation of propane over VMgO catalysts
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Journal ArticleDOI
Bonding states of surface vanadium(V) oxide phases on silica: structural characterization by vanadium-51 NMR and Raman spectroscopy
TL;DR: In this paper, the coordination and local order of vanadium surface oxides on silica were examined by 51 V spin echo and MAS NMR, as well as by Raman spectroscopy.