TY - JOUR
T1 - The 31P NMR chemical shielding tensors in quaternary metal thiophosphates, NaNb2PS10, AgNb2PS10, Au0.5Nb2PS10, and NaSmP2S6
AU - Woo, Ae Ja
AU - Sung-Jin, Kim
AU - Park, Young Sun
AU - Eun-Young, Goh
PY - 2002
Y1 - 2002
N2 - 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.
AB - 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.
UR - http://www.scopus.com/inward/record.url?scp=0036199658&partnerID=8YFLogxK
U2 - 10.1021/cm010053v
DO - 10.1021/cm010053v
M3 - Article
AN - SCOPUS:0036199658
SN - 0897-4756
VL - 14
SP - 518
EP - 523
JO - Chemistry of Materials
JF - Chemistry of Materials
IS - 2
ER -