Berkelium–carbon bonding in a tetravalent berkelocene

Russo, Dominic R.; Gaiser, Alyssa N.; Price, Amy N.; Sergentu, Dumitru-Claudiu; Wacker, Jennifer N.; Katzer, Nicholas; Peterson, Appie A.; Branson, Jacob A.; Yu, Xiaojuan; Kelly, Sheridon N.; Ouellette, Erik T.; Arnold, John; Long, Jeffrey R.; Lukens, Wayne W.; Teat, Simon J.; Abergel, Rebecca J.; Arnold, Polly L.; Autschbach, Jochen; Minasian, Stefan G.

doi:10.1126/science.adr3346

Berkelium–carbon bonding in a tetravalent berkelocene

Journal Article · Thu Feb 27 00:00:00 EST 2025 · Science

DOI:https://doi.org/10.1126/science.adr3346· OSTI ID:2571277

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Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States); University of California, Berkeley, CA (United States)
Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Alexandru Ioan Cuza University (Romania)
Univ. at Buffalo, NY (United States)
Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States). Advanced Light Source (ALS)

Interest in actinide–carbon bonds has persisted since actinide organometallics were first investigated for applications in isotope separation during the Manhattan Project. Transplutonium organometallics are rarely isolated and structurally characterized, likely owing to limited isotope inventories, a scarcity of suitable laboratory infrastructure, and intrinsic difficulties with the anaerobic conditions required. In this paper, we report the discovery of an organometallic “berkelocene” complex prepared from 0.3 milligrams of berkelium-249. Single-crystal x-ray diffraction shows a tetravalent berkelium ion between two substituted cyclooctatetraene ligands, resulting in the formation of berkelium–carbon bonds. The coordination in berkelocene resembles that of uranocene, and calculations show that the berkelium 5f orbitals engage in covalent overlap with the δ-symmetry orbitals of the cyclooctatetraenide ligand π system. Charge transfer from the ligands is diminished relative to uranocene and other actinocenes, which maximizes contributions from the stable, half-filled 5f⁷ configuration of tetravalent berkelium.

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Research Organization:: Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States); Univ. at Buffalo, NY (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division (CSGB); USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF)

Grant/Contract Number:: AC02-05CH11231; SC0001136

OSTI ID:: 2571277

Alternate ID(s):: OSTI ID: 2571282

Journal Information:: Science, Journal Name: Science Journal Issue: 6737 Vol. 387; ISSN 1095-9203; ISSN 0036-8075

Publisher:: AAASCopyright Statement

Country of Publication:: United States

Language:: English

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