Factors controlling the O-17 NMR chemical shift in ionic mixed metal oxides

Bastow, T.J. and Dirken, P.J. and Smith, M.E. and Whitfield, H.J. (1996) Factors controlling the O-17 NMR chemical shift in ionic mixed metal oxides. Journal of Physical Chemistry, 100 (47). pp. 18539-18545. ISSN 0022-3654. (The full text of this publication is not available from this repository)

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Abstract

A wide range of O-17-enriched phases ABO(3) and A(2)BO(3) (A = Li, Na, Ca, Sr, Ba, and La; B = Ti, Zr, Sn, Nb, and Al) and related compounds has been synthesized and studied using O-17 magic angle spinning (MAS) NMR spectroscopy. In these highly ionic phases, the O-17 electric field gradients are small, and as a result highly resolved NMR spectra that reveal subtle structural inequivalences are observed. For titanates and zirconates the O-17 chemical shifts fall in distinct, well-defined regions (372-564 and 280-376 ppm, respectively), The ratio of isotropic O-17 chemical shifts from isostructural titanates and zirconates with the same A cation is constant, and this ratio is close to the ratio of the polarizing powers of titanium and zirconium. The B cation appears to be the dominant influence in determining the O-17 chemical shift in these compounds. Additionally the number of oxygen resonances and the shift difference between them increases as the symmetry of the structure decreases. Sn-119 MAS NMR has been applied to a variety of stannates and shows a large shift difference (68.2 ppm) between CaSnO3 phases with the ilmenite and GdFeO3 perovskite type crystal structures. Al-27 and O-17 MAS NMR have been used to study the conversion of lanthanum and aluminum sol-gel precursors to crystalline LaAlO3 perovskite. O-17 NMR proves to be more informative than Al-27 NMR and shows that the formation of LaAlO3 proceeds via the reaction of separate lanthanum and aluminum oxides initially formed.

Item Type: Article
Subjects: Q Science
Q Science > QD Chemistry
Divisions: Faculties > Science Technology and Medical Studies > School of Physical Sciences
Depositing User: M.A. Ziai
Date Deposited: 16 May 2009 15:39
Last Modified: 16 May 2009 15:39
Resource URI: http://kar.kent.ac.uk/id/eprint/18806 (The current URI for this page, for reference purposes)
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