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Issue 16, 2017
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X-Ray crystallographic and computational study on uranyl–salophen complexes bearing nitro groups

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Abstract

In the solid state, salophen–UO2 complexes bearing one, two, or three NO2 groups lack the pronounced ligand curvature that represents a structural hallmark for this class of compounds. A detailed structural study based on single-crystal X-ray crystallography and computational methods, comprising molecular dynamics, gas-phase Hartree Fock, and DFT calculations, was carried out to investigate the coordination properties of the uranyl cation.

Graphical abstract: X-Ray crystallographic and computational study on uranyl–salophen complexes bearing nitro groups

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Publication details

The article was received on 19 Dec 2016, accepted on 19 Mar 2017 and first published on 20 Mar 2017


Article type: Paper
DOI: 10.1039/C6DT04773D
Citation: Dalton Trans., 2017,46, 5240-5249
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    X-Ray crystallographic and computational study on uranyl–salophen complexes bearing nitro groups

    A. Valkonen, G. M. Lombardo, K. Rissanen, F. Punzo and M. Cametti, Dalton Trans., 2017, 46, 5240
    DOI: 10.1039/C6DT04773D

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