Structural and Computational Characterization of a Bridging Zwitterionic-Amidoxime Uranyl Complex

Org Chem Front. 2019 Apr 7;6(7):1038-1043. doi: 10.1039/C9QO00267G. Epub 2019 Mar 12.

Abstract

A bridging (μ2) neutral zwitterionic amidoxime binding mode previously unobserved between amidoximes and uranyl is reported and compared to other uranyl amidoxime complexes. Density functional theory computations show the dinuclear complex exhibits a shallow potential energy surface allowing for facile inclusion of a nonbonding water molecule in the solid-state.