Cyclopentadienyl coordination induces unexpected ionic Am-N bonding in an americium bipyridyl complex

Long, Brian N.; Beltrán-Leiva, María J.; Celis-Barros, Cristian; Sperling, Joseph M.; Poe, Todd N.; Baumbach, Ryan E.; Windorff, Cory J.; Albrecht-Schönzart, Thomas E.

doi:10.1038/s41467-021-27821-4

Title: Cyclopentadienyl coordination induces unexpected ionic Am-N bonding in an americium bipyridyl complex

Journal Article · 10 January 2022 · Nature Communications

DOI: https://doi.org/10.1038/s41467-021-27821-4 · OSTI ID:1904479

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Florida State University, Tallahassee, FL (United States); OSTI
Florida State University, Tallahassee, FL (United States)
National High Magnetic Field Laboratory, Tallahassee, FL (United States)
Florida State University, Tallahassee, FL (United States); New Mexico State University, Las Cruces, NM (United States)

Variations in bonding between trivalent lanthanides and actinides is critical for reprocessing spent nuclear fuel. The ability to tune bonding and the coordination environment in these trivalent systems is a key factor in identifying a solution for separating lanthanides and actinides. Coordination of 4,4'-bipyridine (4,4'-bpy) and trimethylsilylcyclopentadienide (Cp') to americium introduces unexpectedly ionic Am-N bonding character and unique spectroscopic properties. Here we report the structural characterization of (Cp'₃Am)₂(μ -4,4'-bpy) and its lanthanide analogue, (Cp'₃Nd)₂(μ - 4,4'-bpy), by single-crystal X-ray diffraction. Spectroscopic techniques in both solid and solution phase are performed in conjunction with theoretical calculations to probe the effects the unique coordination environment has on the electronic structure.

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Research Organization:: Florida State University, Tallahassee, FL (United States)

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

Grant/Contract Number:: SC0010677; SC0010677

OSTI ID:: 1904479

Journal Information:: Nature Communications, Journal Name: Nature Communications Journal Issue: 1 Vol. 13; ISSN 2041-1723

Publisher:: Nature Publishing GroupCopyright Statement

Country of Publication:: United States

Language:: English

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CCDC 2081956: Experimental Crystal Structure Determination N., Long, Brian; J., Beltrán-Leiva, María; Cristian, Celis-Barros, https://doi.org/10.5517/ccdc.csd.cc27wfwg The current record is supplemented by this dataset	dataset	January 2022
CCDC 2081957: Experimental Crystal Structure Determination N., Long, Brian; J., Beltrán-Leiva, María; Cristian, Celis-Barros, https://doi.org/10.5517/ccdc.csd.cc27wfxh The current record is supplemented by this dataset	dataset	January 2022

Title: Cyclopentadienyl coordination induces unexpected ionic Am-N bonding in an americium bipyridyl complex

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