¹²⁵Te NMR Probes of Tellurium Oxide Crystals: Shielding-Structure Correlations

The local environments around tellurium atoms in a series of tellurium oxide crystals were probed by ¹²⁵Te solid-state NMR spectroscopy. Crystals with distinct TeO_n units (n from 3 to 6), including Na₂TeO₃, α-TeO₂ and γ-TeO₂, Te₂O(PO₄)₂, K₃LaTe₂O₉, BaZnTe₂O₇, and CsYTe₃O₈ were studied. The latter four were synthesized through a solid-state process. X-ray diffraction was used to confirm the successful syntheses. The ¹²⁵Te chemical shift was found to exhibit a strong linear correlation with the Te coordination number. The ¹²⁵Te chemical-shift components (δ₁₁, δ₂₂, and δ₃₃) of the TeO₄ units were further correlated to the O-Te-O-bond angles. With the aid of ¹²⁵Te NMR, it is likely that these relations can be used to estimate the coordination states of Te atoms in unknown Te crystals and glasses.