Observation of the Inverse Trans Influence (ITI) in a Uranium(V) Imide Coordination Complex: An Experimental Study and Theoretical Evaluation

Abstract

An inverse trans influence has been observed in a high-valent U­(V) imide complex, [((<sup>Ad</sup>ArO)<sub>3</sub>N)­U­(NMes)]. A thorough theoretical evaluation has been employed in order to corroborate the ITI in this unusual complex. Computations on the target complex, [((<sup>Ad</sup>ArO)<sub>3</sub>N)­U­(NMes)], and the model complexes [((<sup>Me</sup>ArO)<sub>3</sub>N)­U­(NMes)] and [(NMe<sub>3</sub>)­(OMe<sub>2</sub>)­(OMe)<sub>3</sub>U­(NPh)] are discussed along with synthetic details and supporting spectroscopic data. Additionally, the syntheses and full characterization data of the related U­(V) trimethylsilylimide complex [((<sup>Ad</sup>ArO)<sub>3</sub>N)­U­(NTMS)] and U­(IV) azide complex [((<sup>Ad</sup>ArO)<sub>3</sub>N)­U­(N<sub>3</sub>)] are also presented for comparison

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