Complexation of U(VI) with diphenyldithiophosphinic acid: spectroscopy,structure and DFT calculations |
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| Authors: | Dechao Meng Ning Pu Lei Mei Taoxiang Sun Lei Xu Weiqun Shi Jing Chen Chao Xu |
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| Institution: | 1.Collaborative Innovation Center of Advanced Nuclear Energy Technology,Institute of Nuclear and New Energy Technology, Tsinghua University,Beijing,China;2.Key Lab of Radioactive Waste Treatment,Tsinghua University,Beijing,China;3.Laboratory of Nuclear Energy Chemistry, Institute of High Energy Physics,Chinese Academy of Sciences,Beijing,China |
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| Abstract: | The complexation of U(VI) with diphenyldithiophosphinic acid (denoted as HL) in acetonitrile was studied by UV–Vis, FT-IR, crystallography and DFT calculations. UV–Vis absorption spectrophotometry implies that three successive complexes, UO2L+, UO2L2, UO2L3?, form in the solution. Significant ligand to metal charge transfer occurs from soft atom S to U(VI) in all the three complexes. A crystal of UO2L2 complex was successfully synthesized from the solution. In the crystal both the two ligands coordinate to U(VI) in bidentate form. DFT calculations confirm the formation of UO2L3? complex and help illustrate the structures of all the U(VI) species in the solution. |
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