Actinyl (AnO<sub>2</sub><sup>2+</sup>) cations are near-linear species with the oxo groups typically remaining uncoordinated in solid state compounds. Engaging these nominally terminal groups, however, is of interest for a variety of reasons. From a structural perspective, axial coordination promotes connectivity in another dimension and thus promotes structural diversity. From a properties perspective, oxo coordination has been shown to influence redox behavior and electronic structure. Over the past few years, we have developed a number of strategies for engaging oxo groups via controlled hydrogen- or halogen-bonding motifs or incorporation of metal ions. Presented will be a structural survey of compounds prepared with these interactions in mind, and the influences thereof on Raman and luminescence spectra. Moreover, a computational treatment involving density functional theory based natural bonding orbital (NBO) analysis and quantum theory of atoms in molecules (QTAIM) will provide a description of the orbital level ‘response’ to oxo engagement.

We’re just messing with U: strategies for engaging actinyl oxo atoms in the solid state

Fall 2022 abstracts, posters, and presentations will launch in mid-September.

ACS Fall 2022

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