(super 51)V MAS NMR investigation of (super 51)V quadrupole coupling and chemical shift anisotropy in divalent metal pyrovanadates
Article Abstract:
Magnitudes and relative orientations of (super 51)V quadrupole coupling and chemical shift tensors are determined from (super 51)V magic angle spinning (MAS) NMR spectra at 14.1 T for seven divalent metals. A linear correlation is observed between the principal elements for the (super 51)V quadrupole coupling tensors and calculated electric field gradient tensor elements, obtained from point-monopole calculations.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2001
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Solid-state density functional calculations for the group 11 monohalides
Article Abstract:
The study characterized the group 11 monohalides by a variety of different solid-state structures and modifications. The copper halides crystallize mainly in a cubic zinc blende structure, while silver halides are mostly found in a rock salt modification.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2005
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