Raman spectroscopic characterization of a synthetic, non-stoichiometric Cu–Ba uranyl phosphate

Spectroscopic markers for uranium(vi) phosphates: a vibronic study

“…Our spectrum of natural metatorbernite is identical to that found by Sanchez-Pastor et al [28] on synthetic metatorbernite, with major lines appearing almost at the same positions. In this mineral the O−U−O stretchings occur at 826 cm -1 (ν 1 ) and 900−905 cm -1 (ν 3 ).…”

“…[ [25][26][27][28] The symmetric ν 2 and antisymmetric ν 4 phosphate vibrations tentatively ascribed here to experimental vibrational lines from DFT prediction are found to be moderately lower than the assignment previously proposed in the literature. [28] In this work, under-or overestimated values have not been scaled in order to reproduce the observed values.…”

“…Synthetic uranyl compounds including metatorbernite and metauranocircite have also been studied with vibrational spectroscopy in several previous works. [28][29][30][31][32] …”

“…[28] In this work, under-or overestimated values have not been scaled in order to reproduce the observed values. One can note also that the present DFT calculation does not take into account the static crystal field and environment effects on the vibrational frequencies of the as-calculated ions, nor spin-orbit coupling.…”

Further Insight into Uranium and Thorium Metaphosphate Chemistry and the Effect of Nd3+ Incorporation into Uranium(IV) Metaphosphate

“…The first one is in the range ν = 100-1300 cm -1 and corresponds to the symmetric and antisymmetric stretching vibrations of phosphate groups, ν 1 (PO 4 ) and ν 3 (PO 4 ), respectively, according to literature data. [37] The second and third regions cannot be distinguished unambiguously without theoretical calculations of the spectrum because of their overlap. Despite this, it is more likely that a border between these regions lies at ν ≈ 350 cm -1 .…”