Quantum Information Science

Quantum information science (QIS) represents an emerging paradigm with the potential to revolutionize a diverse range of scientific fields. To advance efforts within QIS, we are interested in electron spin-based qubits as they offer unmatched promise if long coherence times can be realized. This is a multifaceted challenge as electron spin superpositions are very sensitive to magnetic and environmental noise, which can result in decoherence via multiple pathways. To overcome these challenges, we are focused on accessing atomic clock transitions in molecules as these phenomena allow for electron spin qubits to be protected from external magnetic noise. This entails the synthesis of lanthanide and actinide (U, Np, and Pu) polyoxometalate complexes and extensive materials characterization, including SQUID magnetometry, synchrotron, electron paramagnetic resonance, and magneto-infrared spectroscopies, to elucidate a comprehensive understanding of how to harness the potential of atomic clock transitions in f-element materials for QIS applications.

This project is supported by the Department of Energy Early Career Research Program.

Theranostics and Medicinal Inorganic Chemistry

Theranostics involves using the same pharmaceutical for both therapy and diagnostics. This principle has been applied to radioimmunotherapy, where alpha-, beta-, and Auger-Meitner emitting radionuclides are coupled to targeting vectors in order to deliver cytotoxic ionizing radiation to diseased tissue. Before administering these radiopharmaceuticals to a patient, either Positron Emission Tomography (PET) or Single Photon Emission Computed Tomography (SPECT) is used to determine the radiopharmaceuticals’ patient-specific efficacy and dosimetry. We are developing and evaluating novel theranostic pairs and are focused on the aqueous, radioactive coordination chemistry of early transition metals/lanthanides that can be paired with alpha-emitting actinides, specifically ⁴⁸V, ¹³⁴Ce, ²²⁷Th, and ²³⁰U. We also have broader interests in the coordination chemistry of vanadium and are further exploring the development of vanadium small molecule complexes for applications as enzyme active site inhibitors and for use in electron paramagnetic resonance imaging.

Free Radical and Radiation Chemistry

A defining characteristic of spent nuclear fuel is the high radiation fuel generated by alpha and gamma emissions from actinides and fission products. High radiation fields are also generated locally when alpha-, beta-, and Auger-Meitner emitting radionuclides are used for targeted theranostics. As a result, understanding the consequences of ionizing radiation on coordination chemistry has ramifications for multiple areas of research. We are interested in exploring fundamental radiation and free radical chemistry with a particular emphasis on identifying and characterizing metal-free radical interactions. Our initial efforts have focused on the capture and stabilization of reactive oxygen and carbon species in uranyl peroxide clusters and complexes, and we extensively explore metal-free radical interactions using vibrational and electron paramagnetic resonance spectroscopies. Moving forward we plan to extend our studies to ²³⁵U and transuranic species so that we can improve our understanding of the sorts of interactions that occur in spent nuclear fuel and advanced separations processes.

Multifunctional f-Element Hybrid Materials

Hybrid materials have been broadly defined as those consisting of both organic and inorganic moieties blended on the molecular scale. The most well-known class of hybrid materials is metal-organic frameworks (MOFs), which are comprised of inorganic building units and multitopic organic ligands. We are interested in expanding the functional material space of hybrid materials via the synthesis of organic molecules featuring multiple sites capable of covalent and non-covalent assembly. These aims are being initially pursued with two classes of ligands, pyridinone- and chalcogenophene carboxylic acids, that we coordinate to lanthanide and actinide metal centers, and resulting metal-organic materials are explored for emergent applications in catalysis, gas capture, separations, and sensing.