Evidence of Alpha Radiolysis in the Formation of a Californium Nitrate Complex |
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| Authors: | Dr Shane S Galley Dr Carlo Alberto Gaggioli Dr Matthias Zeller Dr Cristian Celis-Barros Prof Dr Thomas E Albrecht-Schmitt Prof Dr Laura Gagliardi Prof Dr Suzanne C Bart |
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| Institution: | 1. H.C. Brown Laboratory, Department of Chemistry, Purdue University, West Lafayette, Indiana, 47907 USA;2. Department of Chemistry, Supercomputing Institute, and Chemical Theory Center, University of Minnesota, Minneapolis, Minnesota, 55455 USA;3. Department of Chemistry and Biochemistry, Florida State University, Tallahassee, Florida, 32306 USA |
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| Abstract: | 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. |
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| Keywords: | californium electronic structure analysis f-element radiolysis |
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