title: Raman spectroscopic and ESI-MS characterization of uranyl peroxide cage clusters.
abstract: Strategies for interpreting mass spectrometric and Raman spectroscopic data have been developed to study the structure and reactivity of uranyl peroxide cage clusters in aqueous solution. We demonstrate the efficacy of these methods using the three best-characterized uranyl peroxide clusters, {U24}, {U28}, and {U60}. Specifically, we show a correlation between uranyl-peroxo-uranyl dihedral bond angles and the position of the Raman band of the symmetric stretching mode of the peroxo ligand, develop methods for the assignment of the ESI mass spectra of uranyl peroxide cage clusters, and show that these methods are generally applicable for detecting these clusters in the solid state and solution and for extracting information about their bonding and composition without crystallization.
authors.affiliation: Department of Civil and Environmental Engineering and Earth Sciences, University of Notre Dame , Notre Dame, Indiana 46556, United States.
authors.forename: Brendan T
authors.initials: BT
authors.lastname: McGrail
authors.forename: Ginger E
authors.initials: GE
authors.lastname: Sigmon
authors.forename: Laurent J
authors.initials: LJ
authors.lastname: Jouffret
authors.forename: Christopher R
authors.initials: CR
authors.lastname: Andrews
authors.forename: Peter C
authors.initials: PC
authors.lastname: Burns
mesh_terms: D008958:Models, Molecular; D010545:Peroxides / Q000737:chemistry*; D021241:Spectrometry, Mass, Electrospray Ionization; D013059:Spectrum Analysis, Raman; D017974:Uranium Compounds / Q000737:chemistry*
chemical_list: D010545:Peroxides; D017974:Uranium Compounds