A multi-nuclear multiple-field nuclear magnetic resonance study of the Y(sub 2)O(sub 3)-Al(sub 2)O(sub 3) phase diagram

Article Abstract:

Five crystalline compounds belonging to the Y(sub 2)O(sub 3)-A1(sub 2)O(sub 3) phase diagram by means of A1(super 17)O and Y (magic-angle spinning nuclear magnetic resonance (MAS NMR) are explored. Results show that (super 27)A1, (super 17)O, and (super 89)Y MAS NMR do not provide the same sensitivity with regards to the structural investigation of system A1(sub 2)O(sub 3) and Y(sub 2)O(sub 3).

Phase diagrams

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First-principles calculations within periodic boundary conditions of the NMR shielding tensor for a transition metal nucleus in a solid state system: The example of [(super 51).V] in AlVO4

Article Abstract:

The first density functional theory based calculations of NMR shielding parameters for a transition metal nucleus is presented using periodic boundary conditions. It is demonstrated that principal components of the shielding tensors should be considered for the correlation between calculated and experimental results.

Usage, Density functionals, Density functional theory, Boundary value problems, Structure, Vanadium compounds

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Structural description of the [Na.sub.2][B.sub.4][O.sub.7] - [Na.sub.3][AIF.sub.6]-Ti[O.sub.2] system. 2. A multinuclear NMR approach of melts and solids

Article Abstract:

A quantitative study of pseudo-binary [Na.sub.2][B.sub.4][O.sub.7] - [[Na.sub.3][AIF.sub.6]-Ti[O.sub.2].sub.II] was performed by NMR spectroscopy. Two compositional ranges could be seen in accordance with the [Na.sub.2][B.sub.4][O.sub.7] content, below and above 50% [Na.sub.2][B.sub.4][O.sub.7].

Potassium & Sodium Compounds, Sodium & Sodium Compounds, Titanium compounds, Magnetic properties, Sodium compounds

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