The products of the reactions of lanthanides with F2 and H2O2 have been studied by matrix isolation infrared spectroscopy leading to a wide range of products. Computational electronic structure calculations have been used to map out the reaction energetics and to predict the vibrational spectra to confirm the experimental assignments. In addition, the reactions of lanthanides with H2O have also been studied computationally. A range of oxidation states is predicted for these species. For example, the +IV oxidation state is important for the LnF4 compounds. The trends in the chemical reactivity and electronic structures will be described. In addition, the properties of very high oxidation state actinides (fluorides and hydroxides) will be described. This work is supported by the U.S. DOE Office of Science (BES) Heavy Element Program.

Computational studies of lanthanide and actinide fluorides and hydroxides

251st National Meeting (2016)

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