Investigation of the Electronic Structure of Mono(1,1′-Diamidoferrocene) Uranium(IV) Complexes

The electronic structure of several mono­(1,1′-diamido­ferrocene) uranium complexes (NN^R)­UX₂ (NN^R = fc­(NR)₂, fc = 1,1′-ferrocenediyl, R = SiMe₃, Si^tBuMe₂, SiMe₂Ph, X = I, CH₂Ph), (NN^TBS)­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 (NN^TBS)­U­(CH₂Ph)₂ and (NN^DMP)­U­(CH₂Ph)₂ (and also for the previously reported (NN^TMS)­UI₂­(THF), (NN^TBS)­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.