[sup 6]Li and [sup 7]Li NMR in high-temperature phases of Li[sub x]V[sub 2]O[sub 56] bronzes (0. 2 [<=] x [<=] 1)

Journal Article · Thu Oct 07 04:00:00 EDT 1993 · Journal of Physical Chemistry; (United States)

DOI:https://doi.org/10.1021/j100142a008· OSTI ID:5576672

Hirschinger, J; Mongrelet, T; Marichal, C; Granger, P ^[1]; Savariault, J M; Deramond, E; Galy, J ^[2]

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1. Universite Louis Pasteur, Strasbourg (France)
2. Centre d'Elaboration de Materiaux et d'Etudes Structurales, Toulouse (France)

A series of high-temperature phases of Li[sub x]V[sub 2]O[sub 5] bronzes (0.2 [<=] x [<=] 1) has been studied by [sup 6]Li and [sup 7]Li NMR. Static spin-echo and MAS NMR experiments have been carried out at two magnetic field strengths (4.7 and 7.1 T). It is shown that the MAS technique permits a very accurate direct determination of the lithium site occupancies in the different phases. The spectra are influenced by interactions from both the quadrupole coupling and the paramagnetic shift due to the dipole interactions of the Li nuclear moment with the paramagnetic vanadium ion moments. Both the magnitudes and relative orientation of the quadrupole (Q) and anisotropic shift (S) tensors have been determined by iterative fitting of the [sup 6]Li and [sup 7]Li MAS NMR line shapes at the two magnetic field strengths. The large difference between the [sup 6]Li and [sup 7]Li quadrupole moments is found to be particularly useful for an accurate determination of the NMR interaction parameters. Calculations of the quadrupole and paramagnetic shift coupling parameters have been performed by using a point monopole and point dipole model, respectively. 54 refs., 9 figs., 3 tabs.

• OSTI ID: 5576672
• Journal Information: Journal of Physical Chemistry; (United States), Journal Name: Journal of Physical Chemistry; (United States) Vol. 97:40; ISSN JPCHAX; ISSN 0022-3654
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
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37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
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ALKALI METAL COMPOUNDS
ALKALI METAL ISOTOPES
CRYSTAL STRUCTURE
ISOTOPES
LIGHT NUCLEI
LITHIUM 6
LITHIUM 7
LITHIUM COMPOUNDS
LITHIUM ISOTOPES
MATHEMATICAL MODELS
NMR SPECTRA
NUCLEI
ODD-EVEN NUCLEI
ODD-ODD NUCLEI
OXYGEN COMPOUNDS
PHASE TRANSFORMATIONS
SPECTRA
SPIN ECHO
STABLE ISOTOPES
TRANSITION ELEMENT COMPOUNDS
VANADATES
VANADIUM COMPOUNDS