title: X-Ray crystallographic and computational study on uranyl-salophen complexes bearing nitro groups.
abstract: In the solid state, salophen-UO2complexes bearing one, two, or three NO2groups 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.
authors.affiliation: Department of Chemistry, Nanoscience Center, University of Jyväskylä, P.O. Box 35, 40014 Jyväskylä, Finland.
authors.forename: Arto
authors.initials: A
authors.lastname: Valkonen
authors.forename: Giuseppe M
authors.initials: GM
authors.lastname: Lombardo
authors.forename: Kari
authors.initials: K
authors.lastname: Rissanen
authors.forename: Francesco
authors.initials: F
authors.lastname: Punzo
authors.forename: Massimo
authors.initials: M
authors.lastname: Cametti