Well-characterized complexes of transplutonium elements are scarce because of the experimental challenges of working with these elements and the rarity of the isotopes. This leads to a lack of structural and spectroscopic data needed to understand the nature of chemical bonds in these compounds. In this work, the synthesis of Cf(DOPOq)2(NO3)(py) (DOPOq=2,4,6,8-tetra-tert-butyl-1-oxo-1H-phenoxazin-9-olate; py=pyridine) is reported, in which the nitrate anion is hypothesized to form through the α-radiolysis-induced reaction of pyridine and/or the ligand. Computational analysis of the electronic structure of the complex reveals that the CfIII–ligand interactions are largely ionic.
Bibliographical noteFunding Information:
This work was funded by the Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences of the U.S. Department of Energy through Grants DE‐SC0008479 (SCB), DE‐SC002183 (L.G.), and DE‐FG02‐13ER16414 (TEAS). This material is based upon work supported by the National Science Foundation through the Major Research Instrumentation Program under Grant No. CHE 1625543 (M.Z., X‐ray structure of Gd(DOPO)(NO)(py)). q 2 3
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- electronic structure analysis
PubMed: MeSH publication types
- Journal Article