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X-Ray Crystallographic and Computational Study on Uranyl-Salophen Complexes Bearing Nitro Groups

Abstract

In the solid state, salophen-UO2 complexes bearing one, two or three NO2 groups, lack of the pronounced ligand curvature which 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, probes the coordination properties of the uranyl cation.

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Publication details

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


Article type: Paper
DOI: 10.1039/C6DT04773D
Citation: Dalton Trans., 2017, Accepted Manuscript
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    X-Ray Crystallographic and Computational Study on Uranyl-Salophen Complexes Bearing Nitro Groups

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

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