On phosphorus chemical shift anisotropy in metal (IV) phosphates and phosphonates: A 31 P NMR experimental study

• Published in: Magnetic resonance in chemistry Vol. 61; no. 1; pp. 16 - 21
• Main Authors: Bakhmutov, Vladimir I., Contreras‐Ramirez, Aida, Drake, Hannah, Zhou, Hong‐Cai
• Format: Journal Article
• Language: English
• Published: 01-01-2023
• ISSN: 0749-1581; 1097-458X
• DOI: 10.1002/mrc.5313

The phosphorus chemical shift anisotropies,
31
PΔcs, and asymmetry parameters
η
were measured by the
31
P{
1
H} NMR experiments in static and low‐frequency spinning samples of the zirconium phosphates and phosphonates and also in the mixed Zr (IV)/Sn (IV) phosphate/phosphonate material. The data obtained have shown a 111 connectivity in the HPO
4
and PO
3
groups, which does not change at modification and intercalation of the materials. The
31
PΔcs values of the phosphonate groups (43–49 ppm) significantly surpass the values characterizing the HPO
4
groups (23–37 ppm). The
31
P Δcs values obtained for the metal (IV) phosphates were discussed in terms of P‐O distances. The
31
P chemical shift anisotropy parameters can help at elucidation of local structures in phosphate and phosphonate materials.