Structural and computational characterization of a bridging zwitterionic-amidoxime uranyl complex

Daniel A. Decato; Orion B. Berryman

doi:10.1039/c9qo00267g

Structural and computational characterization of a bridging zwitterionic-amidoxime uranyl complex

Daniel A. Decato, Orion B. Berryman

Chemistry

University of Montana

Research output: Contribution to journal › Article › peer-review

9 Scopus citations

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.

Original language	English
Pages (from-to)	1038-1043
Number of pages	6
Journal	Organic Chemistry Frontiers
Volume	6
Issue number	7
DOIs	https://doi.org/10.1039/c9qo00267g
State	Published - Apr 7 2019

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title = "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.",

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AU - Berryman, Orion B.

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N2 - 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.

AB - 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.

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SP - 1038

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Structural and computational characterization of a bridging zwitterionic-amidoxime uranyl complex

Abstract

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