Multiple Bonds in Uranium-Transition Metal Complexes

Prachi Sharma, Dale R. Pahls, Bianca L. Ramirez, Connie C Lu, Laura Gagliardi

Research output: Contribution to journalArticle

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Abstract

Novel heterobimetallic complexes featuring a uranium atom paired with a first-row transition metal have been computationally predicted and analyzed using density functional theory and multireference wave function based methods. The synthetically inspired metalloligands U{(iPr2PCH2NAr)3tacn} (1) and U(iPr2PCH2NPh)3 (2) are explored in this study. We report the presence of multiple bonds between uranium and chromium, uranium and manganese, and uranium and iron. The calculations predict a 5-fold bonding between uranium and manganese in the UMn(iPr2PCH2NPh)3 complex, which is unprecedented in the literature.

Original languageEnglish (US)
Pages (from-to)10139-10147
Number of pages9
JournalInorganic Chemistry
Volume58
Issue number15
DOIs
StatePublished - Aug 5 2019

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Uranium
Coordination Complexes
uranium
Transition metals
transition metals
Manganese
manganese
Chromium
Wave functions
Density functional theory
chromium
Iron
wave functions
density functional theory
iron
Atoms
atoms

Cite this

Multiple Bonds in Uranium-Transition Metal Complexes. / Sharma, Prachi; Pahls, Dale R.; Ramirez, Bianca L.; Lu, Connie C; Gagliardi, Laura.

In: Inorganic Chemistry, Vol. 58, No. 15, 05.08.2019, p. 10139-10147.

Research output: Contribution to journalArticle

Sharma, Prachi ; Pahls, Dale R. ; Ramirez, Bianca L. ; Lu, Connie C ; Gagliardi, Laura. / Multiple Bonds in Uranium-Transition Metal Complexes. In: Inorganic Chemistry. 2019 ; Vol. 58, No. 15. pp. 10139-10147.
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