Issue 16, 2017

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 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

Supplementary files

Article information

Article type
Paper
Submitted
19 Dec 2016
Accepted
19 Mar 2017
First published
20 Mar 2017

Dalton Trans., 2017,46, 5240-5249

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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