Determination of titanium NMR parameters of ATiO3 compounds: correlations with structural distortion.
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.
Padro
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Department of Physics, University of Warwick, Coventry, UK.
Howes
A P
AP
Smith
M E
ME
Dupree
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R
D001464:Barium; D017610:Calcium Compounds / Q000737:chemistry; D007501:Iron / Q000737:chemistry; D007854:Lead; D008274:Magnesium; D009682:Magnetic Resonance Spectroscopy; D010087:Oxides / Q000737:chemistry; D014025:Titanium / Q000737:chemistry
D017610:Calcium Compounds; D010087:Oxides; C029232:ilmenite; C059910:perovskite; D001464:Barium; D007854:Lead; D014025:Titanium; D007501:Iron; D008274:Magnesium