A multinuclear magnetic resonance examination of the mineral grandidierite Identification of a Al-27 resonance from a well-defined AlO5 site

被引:19
作者
Smith, M. E. [1 ]
Steuernagel, S. [2 ]
机构
[1] CSIRO, Div Mat Sci & Technol, Clayton, Vic 3168, Australia
[2] Bruker Analyt Messtech, D-7512 Silberstreifen, Rheinstetten, Germany
关键词
B-11; Al-27; Si-29 solid state NMR; boroaluminosilicate mineral; five-coordinated aluminium;
D O I
10.1016/S0926-2040(10)80002-5
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
B-11, Al-27 and Si-29 magic angle spinning NMR results are reported for the boroaluminosilicate mineral grandidierite (Mg, Fe)Al3SiBO9. Three distinct aluminium sites are identified, two AlO6 and one AlO5. Despite overlap of the centrebands from these sites the use of three magnetic fields (9.4, 11.7 and 14.1 T) allows unambiguous values for the isotropic chemical shift (delta(iso)), quadrupolar coupling constant (C-q) and quadrupolar asymmetry parameter (eta) to be deduced for each site. The NMR spectrum from the AlO5 site is simulated with parameters C-q = 8.7 +/- 0.1 MHz, eta = 0.95 +/- 0.05 and delta(iso) = 41 +/- 1 ppm which are compared to values from other well-defined AlO5 units.
引用
收藏
页码:175 / 183
页数:9
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