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

A bridging (μ ) 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 fac...

Full description

Saved in:
Bibliographic Details
Published in:Organic chemistry frontiers an international journal of organic chemistry 2019-04, Vol.6 (7), p.1038-1043
Main Authors: Decato, Daniel A, Berryman, Orion B
Format: Article
Language:English
Subjects:
Computer applications
Coordination compounds
Crystallography
Density functional theory
Organic chemistry
Potential energy
Structural analysis
Water chemistry
Zwitterions
Citations: Items that cite this one
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary:A bridging (μ ) 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.
ISSN:2052-4110
2052-4110
DOI:10.1039/c9qo00267g