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The 31P NMR chemical shielding tensors in quaternary metal thiophosphates, NaNb2PS10, AgNb2PS10, Au0.5Nb2PS10, and NaSmP2S6
- The 31P NMR chemical shielding tensors in quaternary metal thiophosphates, NaNb2PS10, AgNb2PS10, Au0.5Nb2PS10, and NaSmP2S6
- Woo A.J.; Sung-Jin K.; Park Y.S.; Eun-Young G.
- Ewha Authors
- 김성진; 우애자
- SCOPUS Author ID
- 김성진; 우애자
- Issue Date
- Journal Title
- Chemistry of Materials
- Chemistry of Materials vol. 14, no. 2, pp. 518 - 523
- SCIE; SCOPUS
- Document Type
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- 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.
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