Impacts of Oxo Interactions on Np(V) Crown Ether Complexes

Basile, Madeline; Cole, Erica; Forbes, Tori Z.

doi:10.1021/acs.inorgchem.8b00488

Impacts of Oxo Interactions on Np(V) Crown Ether Complexes

Journal Article · Mon May 07 00:00:00 EDT 2018 · Inorganic Chemistry

DOI:https://doi.org/10.1021/acs.inorgchem.8b00488· OSTI ID:1668716

Basile, Madeline ^[1]; Cole, Erica ^[2]; ^[2]

Univ. of Iowa, Iowa City, IA (United States); University of Iowa
Univ. of Iowa, Iowa City, IA (United States)

Intermolecular interactions between the oxo group of an actinyl cation and other metal cations (i.e., cation–cation interactions) are dependent on the strength of the actinyl bond. These cation–cation interactions are prominently observed for the neptunyl cation [Np(V)O_2]⁺ and are sufficiently stable enough to explore using a variety of chemical techniques. Here, we investigate these intermolecular interactions in the neptunyl 18-crown-6 system, because this macrocyclic ligand provides both stable coordination and the proper sterics to engage the oxo group in bonding with both low-valent metal cations and neighboring neptunyl units. We report the structural and spectroscopic characterization of five neptunyl, [Np(V,VI)O₂]^+,2+, compounds: Np1a ([NpO₂(18-crown-6)]ClO₄), Np1b ([NpO₂(18-crown-6)]AuCl₄), Na–Np ([Np(V)O₂(18-crown-6)(Na(H₂O)(18-crown-6)][Np(VI)O₂Cl₄], Np–Np ([NpO₂(18-crown-6)](NpO₂Cl₂NO₃)], and Np–Cl (NpO₂Cl(H₂O)_1.75). Each of these compounds were prepared from the ambient reactions of Np(V) in HX (where X = Cl, NO₃) with the 18-crown-6 ether molecule. Structural information obtained from single-crystal X-ray diffraction data was paired with solid-state and solution Raman spectroscopy to provide information on the interaction of the neptunyl oxo atom with neighboring cations. Neptunyl (Np=O) bond lengths are not perturbed upon interaction with the Na⁺ cation (Na–Np), but elongation is observed upon formation of a neptunyl–neptunyl interaction (Np–Np). This is also the first structurally characterized isolated, molecular complex that contains a simple T-shaped neptunyl–neptunyl interaction. Raman spectroscopy indicates little perturbation to the neptunyl bond until the formation of the neptunyl–neptunyl motif, which also results in activation of the ν₃ asymmetric stretch. Additional spectroscopic studies indicated that the neptunyl 18-crown-6 inclusion complexes form in solution and persist in the presence of other low-valence cations.

View Accepted Manuscript (DOE)

Research Organization:: Univ. of Iowa, Iowa City, IA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: SC0013980

OSTI ID:: 1668716

Alternate ID(s):: OSTI ID: 1539095

Journal Information:: Inorganic Chemistry, Journal Name: Inorganic Chemistry Journal Issue: 10 Vol. 57; ISSN 0020-1669

Publisher:: American Chemical Society (ACS)Copyright Statement

Country of Publication:: United States

Language:: English

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