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

2 Scopus citations

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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  • Journal Article

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