How Amidoximate Binds the Uranyl Cation

This study identifies how the amidoximate anion, AO, interacts with the uranyl cation, UO2 2+. Density functional theory calculations have been used to evaluate possible binding motifs in a series of [UO2(AO) x (OH2) y ]2–x (x = 1–3) complexes. These motifs include monodentate binding to either the...

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Veröffentlicht in:	Inorganic chemistry 2012-03, Vol.51 (6), p.3855-3859
Hauptverfasser:	Vukovic, Sinisa, Watson, Lori A, Kang, Sung Ok, Custelcean, Radu, Hay, Benjamin P
Format:	Artikel
Sprache:	eng
Schlagworte:	AMIDES ANIONS ATOMS CATIONS FORECASTING FUNCTIONALS INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY NITROGEN OXIMES OXYGEN X-RAY DIFFRACTION
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