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

Abstract

Optical spectroscopic fingerprints of several uranium phosphates relevant for environmental sustainability have been determined. The studied minerals contain uranium(VI) cation coordination centers linked to phosphate functional groups and water molecules. Easy and fast identification of these minerals in their bulk state is possible by using either Raman, infrared, optical, or photoluminescence spectroscopy. Simple density functional theory vibrational modeling is presented to identify the main vibrational lines. These affordable methods of spectroscopy can be readily employed in optical remote sensing to identify uranyl species in groundwater, soil, or other geologic samples and in biological specimen for the purpose of tracking radionuclide transport, pollution, and of soluble uranium remediation by uranyl phosphates precipitation.