om400521k_si_002.pdf (4.17 MB)
Investigation of the Electronic Structure of Mono(1,1′-Diamidoferrocene) Uranium(IV) Complexes
journal contributionposted on 2016-02-18, 13:31 authored by Selma Duhović, Jeremy V. Oria, Samuel O. Odoh, Georg Schreckenbach, Enrique R. Batista, Paula L. Diaconescu
The electronic structure of several mono(1,1′-diamidoferrocene) uranium complexes (NNR)UX2 (NNR = fc(NR)2, fc = 1,1′-ferrocenediyl, R = SiMe3, SitBuMe2, SiMe2Ph, X = I, CH2Ph), (NNTBS)UI(OAr) (OAr = 2,6-di-tert-butylphenoxide), and (NNTBS)U(CH2Ph)(OAr) was investigated by electrochemistry, electronic absorption and vibrational spectroscopy, and DFT calculations. Similar metrical parameters were observed for (NNTBS)U(CH2Ph)2 and (NNDMP)U(CH2Ph)2 (and also for the previously reported (NNTMS)UI2(THF), (NNTBS)UI2(THF), and (NNTBS)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.