Preparation of Neptunyl and Plutonyl Acetates To Access Nonaqueous Transuranium Coordination Chemistry

Mikeska, Emily R.; Wilson, Richard E.; Sen, Asmita; Autschbach, Jochen; Blakemore, James D.

doi:10.1021/jacs.4c04613

Preparation of Neptunyl and Plutonyl Acetates To Access Nonaqueous Transuranium Coordination Chemistry

Journal Article · Wed Jul 24 00:00:00 EDT 2024 · Journal of the American Chemical Society

DOI:https://doi.org/10.1021/jacs.4c04613· OSTI ID:2497268

^[1]; ^[2]; Sen, Asmita ^[3]; ^[3]; ^[4]

Univ. of Kansas, Lawrence, KS (United States); Argonne National Laboratory (ANL), Argonne, IL (United States)
Argonne National Laboratory (ANL), Argonne, IL (United States)
State Univ. of New York at Buffalo, NY (United States)
Univ. of Kansas, Lawrence, KS (United States)

Uranyl diacetate dihydrate is a useful reagent for the preparation of uranyl (UO₂²⁺) coordination complexes, as it is a well-defined stoichiometric compound featuring moderately basic acetates that can facilitate protonolysis reactivity, unlike other anions commonly used in synthetic actinide chemistry such as halides or nitrate. Despite these attractive features, analogous neptunium (Np) and plutonium (Pu) compounds are unknown to date. Here, in this study, a modular synthetic route is reported for accessing stoichiometric neptunyl(VI) and plutonyl(VI) diacetate compounds that can serve as starting materials for transuranic coordination chemistry. The new NpO₂²⁺ and PuO₂²⁺ complexes, as well as a corresponding molecular UO₂²⁺ complex, are isomorphous in the solid state, and in solution show similar solubility properties that facilitate their use in synthesis. In both solid and solution state, the +VI oxidation state (O.S.) is maintained, as demonstrated by vibrational and optical spectroscopy, confirming that acetate anions stabilize the oxidizing, high-valent +VI states of Np and Pu as they do for the more stable U(VI). All three acetate salts readily react with a model diprotic ligand, affording incorporation of U(VI), Np(VI), and Pu(VI) cores into molecular coordination compounds that occurs concomitantly with elimination of acetic acid; the new complexes are high-valent, yet overall charge neutral, facilitating entry into nonaqueous chemistry by rational synthesis. Computational studies reveal that the dianionic ligand framework assists in stabilizing the +VI O.S. via donation to the 5f shells of the actinides, highlighting the potential usefulness of protonolysis reactivity toward preparation of stabilized high-valent transuranic species.

View Accepted Manuscript (DOE)

Research Organization:: Argonne National Laboratory (ANL), Argonne, IL (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division (CSGB); USDOE Office of Science (SC), Office of Workforce Development for Teachers & Scientists (WDTS)

Grant/Contract Number:: AC02-06CH11357; SC0001136; SC0014664; SC0019169

OSTI ID:: 2497268

Journal Information:: Journal of the American Chemical Society, Journal Name: Journal of the American Chemical Society Journal Issue: 31 Vol. 146; ISSN 0002-7863

Publisher:: American Chemical Society (ACS)Copyright Statement

Country of Publication:: United States

Language:: English

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37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY

CCDC 2328671: Experimental Crystal Structure Determination Emily, Mikeska,; Richard, Wilson,; Asmita, Sen, https://doi.org/10.5517/ccdc.csd.cc2j55fb The current record is supplemented by this dataset	dataset	January 2024
CCDC 2328672: Experimental Crystal Structure Determination Emily, Mikeska,; Richard, Wilson,; Asmita, Sen, https://doi.org/10.5517/ccdc.csd.cc2j55gc The current record is supplemented by this dataset	dataset	January 2024
CCDC 2328673: Experimental Crystal Structure Determination Emily, Mikeska,; Richard, Wilson,; Asmita, Sen, https://doi.org/10.5517/ccdc.csd.cc2j55hd The current record is supplemented by this dataset	dataset	January 2024
CCDC 2328674: Experimental Crystal Structure Determination Emily, Mikeska,; Richard, Wilson,; Asmita, Sen, https://doi.org/10.5517/ccdc.csd.cc2j55jf The current record is supplemented by this dataset	dataset	January 2024
CCDC 2328675: Experimental Crystal Structure Determination Emily, Mikeska,; Richard, Wilson,; Asmita, Sen, https://doi.org/10.5517/ccdc.csd.cc2j55kg The current record is supplemented by this dataset	dataset	January 2024
CCDC 2328676: Experimental Crystal Structure Determination Emily, Mikeska,; Richard, Wilson,; Asmita, Sen, https://doi.org/10.5517/ccdc.csd.cc2j55lh The current record is supplemented by this dataset	dataset	January 2024
CCDC 2328677: Experimental Crystal Structure Determination Emily, Mikeska,; Richard, Wilson,; Asmita, Sen, https://doi.org/10.5517/ccdc.csd.cc2j55mj The current record is supplemented by this dataset	dataset	January 2024

Preparation of Neptunyl and Plutonyl Acetates To Access Nonaqueous Transuranium Coordination Chemistry

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