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

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.

SUBMITTER: Decato DA 

PROVIDER: S-EPMC6510399 | biostudies-literature | 2019 Apr

REPOSITORIES: biostudies-literature