The synthesis and spectroscopic characterization of an aromatic uranium amidoxime complex

• An aromatic tridentate amidoxime uranyl complex was synthesized.
• The uranyl complex was characterized by X-ray diffraction and SS-NMR.
• The UO vibrations were easily observed in the Raman spectrum.
• DFT afforded insight into the electronic structure of this uranyl complex.

A tridentate aromatic amidoxime ligand and its corresponding uranyl complex have been synthesized. The complex was rigorously characterized with single-crystal X-ray diffraction, solid-state NMR, infrared absorption, and Raman spectroscopy. Unlike previous amidoxime complexes, the crystal structure confirms the complexation of only a single tridentate amidoxime ligand to the uranium, and solid state NMR confirms uranyl binding in the bulk sample. The Raman spectrum of the complex is dominated by the strong UO vibration which exhibits a significant shift from the UO vibration in unbound uranyl. Density functional theory (DFT) aided in calculations of vibrational modes as well as providing insight into the electronic structure of this uranyl complex.

A comprehensive synthetic, spectroscopic, and theoretical characterization of an aromatic tridentate amidoxime uranyl complex is described. While the UO vibrations were obscured in the IR spectrum, they were easily observed in the Raman spectrum and these signals could potentially serve as a spectroscopic marker for uranium detection.Figure optionsDownload as PowerPoint slide