Journal of Physical Chemistry B, Vol.102, No.31, 5969-5976, 1998
Multiple quantum Al-27 magic-angle-spinning nuclear magnetic resonance spectroscopic study of SrAl12O19 : Identification of a Al-27 resonance from a well-defined AlO5 site
SrAl12O19, a material with the magnetoplumbite-type structure, has been characterized by field-dependent Al-27 MAS and MQMAS solid-state NMR. In this material five different Al sites are present : one AlO4, one AlO5, and three AlO6 sites, which all could be revealed by a quintuple quantum (5Q) MAS spectrum recorded at 7.05 T. A distribution is measured in the NMR parameters that is ascribed to statistical disorder of aluminum in the AlO5 polyhedron. Quantitative simulations, using distributions in quadrupole coupling constant (C-q), of the conventional MAS spectra were successful in fitting the spectra. The Al-27 resonance of the AlO5 polyhedron has a relatively high shielding (delta(iso) : 18 ppm) and a C-q of 2.1 MHz. The high shielding is explained by the distortion of the 5-fold-coordinated Al because relation seems to exist between the isotropic chemical shift and the distortion of 5-fold-coordinated aluminum in various materials.
Keywords:SOLID-STATE AL-27;MAS-NMR-SPECTROSCOPY;QUADRUPOLAR NUCLEI;CRYSTAL-STRUCTURES;DOUBLE-ROTATION;CHEMICAL-SHIFT;P-31 NMR;ALUMINUM;ALUMINOPHOSPHATE;ALPO4-21