V-51 MAS NMR-SPECTROSCOPY - DETERMINATION OF QUADRUPOLE AND ANISOTROPIC SHIELDING TENSORS, INCLUDING THE RELATIVE ORIENTATION OF THEIR PRINCIPAL-AXIS SYSTEMS

被引:155
作者
SKIBSTED, J [1 ]
NIELSEN, NC [1 ]
BILDSOE, H [1 ]
JAKOBSEN, HJ [1 ]
机构
[1] AARHUS UNIV,DEPT CHEM,DK-8000 AARHUS,DENMARK
关键词
D O I
10.1016/0009-2614(92)80838-3
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
V-51 MAS NMR spectra exhibiting the complete manifold of spinning sidebands (SSBs) from all seven V-51 (I = 7/2) transitions have been observed for NH4VO3 and V2O5. These spectra are influenced by interactions from both V-51 quadrupole coupling and chemical-shielding anisotropy. A simulation and iterative-fitting program which allows the first determination of quadrupole and anisotropic shielding tensors, including the relative orientation of their principal-axis systems, from MAS NMR spectra is introduced. The V-51 parameters determined from the SSB intensities for NH4VO3 and V2O5 are compared with literature data from static NMR spectra.
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页码:405 / 412
页数:8
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