Determination of titanium NMR parameters of ATiO3 compounds: correlations with structural distortion

Solid State Nucl Magn Reson. 2000 Apr;15(4):231-6. doi: 10.1016/s0926-2040(99)00061-2.

Abstract

Solid state 47,49Ti NMR spectra have been obtained for a number of perovskite and ilmenite ATiO3 compounds. The 49Ti quadrupole coupling constant varies from 2.75 MHz (CaTiO3) to 15.5 MHz (MgTiO3) and the electric field gradient at the titanium site was found to correlate well with the shear strain, independent of structure. The chemical shift in the perovskite structures varies by approximately 160 ppm and correlates well with the mean Ti-O distance. The 25Mg and 113Cd NMR parameters are also reported for the relevant compounds.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Barium
  • Calcium Compounds / chemistry
  • Iron / chemistry
  • Lead
  • Magnesium
  • Magnetic Resonance Spectroscopy*
  • Oxides / chemistry
  • Titanium* / chemistry

Substances

  • Calcium Compounds
  • Oxides
  • ilmenite
  • perovskite
  • Barium
  • Lead
  • Titanium
  • Iron
  • Magnesium