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The 31P NMR chemical shielding tensors in quaternary metal thiophosphates, NaNb2PS10, AgNb2PS10, Au0.5Nb2PS10, and NaSmP2S6

Title
The 31P NMR chemical shielding tensors in quaternary metal thiophosphates, NaNb2PS10, AgNb2PS10, Au0.5Nb2PS10, and NaSmP2S6
Authors
Woo A.J.Sung-Jin K.Park Y.S.Eun-Young G.
Ewha Authors
김성진우애자
SCOPUS Author ID
김성진scopus; 우애자scopus
Issue Date
2002
Journal Title
Chemistry of Materials
ISSN
0897-4756JCR Link
Citation
vol. 14, no. 2, pp. 518 - 523
Indexed
SCI; SCIE; SCOPUS WOS scopus
Abstract
For quaternary metal thiophosphates, NaNb2PS10, AgNb2PS10, and NaSmP2S6, the principal elements of the 31P NMR chemical shielding tensor (δ11, δ22, δ33) are acquired from the nonlinear least-squares fitting the static powder patterns and MAS spectra. Isotropic chemical shift (δiso) and chemical shielding anisotropy (Δδ) have been employed to correlate with the X-ray crystallographic data, the average (P-S) bond length and the average (S-P-S) bond angle deviation from 109.5°, respectively, at the tetrahedrally coordinated phosphorus atoms. On the basis of these successful correlations, the charge transfer from Na, Ag, and Au metals to the (P-S) ligand is discussed and complemented by the band-structure calculation.
DOI
10.1021/cm010053v
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자연과학대학 > 화학·나노과학전공 > Journal papers
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