Evaluating Best Practices in Raman Spectral Analysis for Uranium Speciation and Relative Abundance in Aqueous Solutions.

Raman spectroscopy is emerging as a powerful tool for identifying hexavalent uranium speciation in situ; however, there is no straightforward protocol for identifying uranyl species in solution. Herein, uranyl samples are evaluated using Raman spectroscopy, and speciation is monitored at various solution pH values and anion compositions. Spectral quality is evaluated using two Raman excitation wavelengths (532 and 785 nm) as these are critical for maximizing signal-to-noise and minimizing background from fluorescent uranyl species. The Raman vibrational frequency of uranyl shifts according to the identity of the coordinating ions within the equatorial plane and/or solution pH; therefore, spectral barcode analysis and rigorous peak fitting methods are developed that allow accurate and routine uranium species identification. All in all, this user's guide is expected to provide a user-friendly, straightforward approach for uranium species identification using Raman spectroscopy.