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 and Biochemistry

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

Funding

X-ray crystallographic data were collected at the University of Montana X-ray diffraction core facility supported by the Center for Biomolecular Structure and Dynamics CoBRE (National Institutes of Health, CoBRE NIGMS P20GM103546). Single crystal X-ray diffraction data were collected using a Bruker D8 Venture, principally supported by NSF MRI CHE-1337908.

Funders	Funder number
Center for Biomolecular Structure and Dynamics
MRI CHE-1337908
P20GM103546
CHE-1337908

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10.1039/c9qo00267g

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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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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.

UR - https://www.scopus.com/pages/publications/85063598744

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JO - Organic Chemistry Frontiers

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ER -

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

Abstract

Funding

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