Investigation of the electronic structure of mono(1,1′- diamidoferrocene) uranium(IV) complexes

Selma Duhović, Jeremy V. Oria, Samuel O. Odoh, Georg Schreckenbach, Enrique R. Batista, Paula L. Diaconescu

Research output: Contribution to journalArticlepeer-review

19 Scopus citations

Abstract

The electronic structure of several mono(1,1′-diamidoferrocene) uranium complexes (NNR)UX2 (NNR = fc(NR) 2, fc = 1,1′-ferrocenediyl, R = SiMe3, Si tBuMe2, SiMe2Ph, X = I, CH2Ph), (NNTBS)UI(OAr) (OAr = 2,6-di-tert-butylphenoxide), and (NN TBS)U(CH2Ph)(OAr) was investigated by electrochemistry, electronic absorption and vibrational spectroscopy, and DFT calculations. Similar metrical parameters were observed for (NNTBS)U(CH 2Ph)2 and (NNDMP)U(CH2Ph) 2 (and also for the previously reported (NNTMS)UI 2(THF), (NNTBS)UI2(THF), and (NN TBS)U(CH2Ph)(OAr)) that translate in similar DFT parameters (bond orders, metal charges) despite some small differences observed by electrochemistry and IR or electronic absorption spectroscopy.

Original languageEnglish (US)
Pages (from-to)6012-6021
Number of pages10
JournalOrganometallics
Volume32
Issue number20
DOIs
StatePublished - Oct 28 2013

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