Since 2005, the Burns research team at the University of Notre Dame has explored the synthesis and characterization of polynuclear metal oxide nanoclusters containing actinide elements. This nanocluster research has applications in the recycling of nuclear waste and increasing the viability of nuclear energy as a source of power. Wide applications of the nanocluster in the fuel cycle require their full characterization and easy means to identify them in solution and in the solid state. Raman spectroscopic data have been correlated to uranyl bond length in uranium dimer compounds. Such correlations directly model the bond length as a function of wavenumber. The goal of this project is to expand the model for this correlation. Dihedral angles and uranyl bond lengths are both related to the ligand used to form the dimer. A simple mathematical model will account for the relationships of both the uranyl bond lengths and the dihedral angles. Further, the model will be applied to uranium nanoclusters of various sizes and synthetic methods. The results that we will present will demonstrate a direct mathematical relationship between a given Raman wavenumber and the corresponding uranyl bond lengths and dihedral bond angles present in the nanoclusters.

Relationships between uranyl bond lengths and dihedral angles and Raman spectroscopic wavenumbers

245th National Meeting (2013)

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.