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Issue 86, 2016
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Electronic structure and characterization of a uranyl di-15-crown-5 complex with an unprecedented sandwich structure

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Abstract

Understanding of the nature and extent of chemical bonding in uranyl coordination complexes is crucial for the design of new ligands for nuclear waste separation, uranium extraction from seawater, and other applications. We report here the synthesis, infrared spectroscopic characterization, and quantum chemical studies of a molecular uranyl–di-15-crown-5 complex. The structure and bonding of this unique complex featuring a distinctive 6-fold coplanar coordination staggered sandwich structure and an unusual non-perpendicular orientation of the uranyl moiety are evaluated using density functional theory and chemical bonding analyses. The results provide fundamental understanding of the coordination interaction of uranyl with oxygen-donor ligands.

Graphical abstract: Electronic structure and characterization of a uranyl di-15-crown-5 complex with an unprecedented sandwich structure

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Publication details

The article was received on 06 Sep 2016, accepted on 05 Oct 2016 and first published on 05 Oct 2016


Article type: Communication
DOI: 10.1039/C6CC07205D
Citation: Chem. Commun., 2016,52, 12761-12764
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    Electronic structure and characterization of a uranyl di-15-crown-5 complex with an unprecedented sandwich structure

    S. Hu, J. K. Gibson, W. Li, M. J. Van Stipdonk, J. Martens, G. Berden, B. Redlich, J. Oomens and J. Li, Chem. Commun., 2016, 52, 12761
    DOI: 10.1039/C6CC07205D

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