UCLA

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. © 2013 American Chemical Society.