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Dalton Transactions

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

Authors: Massimo Cametti; Francesco Punzo; Giuseppe M. Lombardo; Kari Rissanen; Arto Valkonen

Publication Date: -0001-11-30  Article ASAP

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.  Read more