Determination of titanium NMR parameters of ATiO(3) compounds: correlations with structural distortion

Authors
Padro, D Howes, AP Smith, ME Dupree, R
Citation
D. Padro et al., Determination of titanium NMR parameters of ATiO(3) compounds: correlations with structural distortion, SOL ST NUCL, 15(4), 2000, pp. 231-236
Citations number
18
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
SOLID STATE NUCLEAR MAGNETIC RESONANCE
ISSN journal
09262040 → ACNP
Volume
15
Issue
4
Year of publication
2000
Pages
231 - 236
Database
ISI
SICI code
0926-2040(200004)15:4<231:DOTNPO>2.0.ZU;2-F
Abstract
Solid state Ti-47,Ti-49 NMR spectra have been obtained for a number of pelo vskite and ilmenite ATiO(3) compounds. The Ti-49 quadrupole coupling consta nt varies from 2.75 MHz (CaTiO3) to 15.5 MHz (MgTiO3) and the electric fiel d gradient at the titanium site was found to correlate well with the shear strain, independent of structure. The chemical shift in the perovskite stru ctures varies by similar to 160 ppm and correlates well with the mean Ti-O distance. The Mg-25 and Cd-113 NMR parameters are also reported for the rel evant compounds. (C) 2000 Elsevier Science B.V. All rights reserved.