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

Abstract

The electronic structure of several mono(1,1′-diamidoferrocene) uranium complexes (NN R )UX 2 (NN R = fc(NR) 2, fc = 1,1′-ferrocenediyl, R = SiMe 3, Si t BuMe 2, SiMe 2 Ph, X = I, CH 2 Ph), (NN TBS )UI(OAr) (OAr = 2,6-di- tert -butylphenoxide), and (NN TBS )U(CH 2 Ph)(OAr) was investigated by electrochemistry, electronic absorption and vibrational spectroscopy, and DFT calculations. Similar metrical parameters were observed for (NN TBS )U(CH 2 Ph) 2 and (NN DMP )U(CH 2 Ph) 2 (and also for the previously reported (NN TMS )UI 2 (THF), (NN TBS )UI 2 (THF), and (NN TBS )U(CH 2 Ph)(OAr)) that translate in similar DFT parameters (bond orders, metal charges) despite some small differences observed by electrochemistry and IR or electronic absorption spectroscopy.