On the Formation of “Hypercoordinated” Uranyl Complexes

Recent gas-phase experimental studies suggest the presence of hypercoordinated uranyl complexes. Coordination of acetone (Ace) to uranyl to form hypercoordinated species is examined using density functional theory (DFT) with a range of functionals and second-order perturbation theory (MP2). Complexe...

Ausführliche Beschreibung

Bibliographische Detailangaben

Veröffentlicht in:	Inorganic chemistry 2011-09, Vol.50 (17), p.8490-8493
Hauptverfasser:	Schoendorff, George, de Jong, Wibe A, Van Stipdonk, Michael J, Gibson, John K, Rios, Daniel, Gordon, Mark S, Windus, Theresa L
Format:	Artikel
Sprache:	eng
Schlagworte:	ACETONE density functional theory Environmental Molecular Sciences Laboratory FUNCTIONALS gas phase hypercoordinated INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY MP2 PERTURBATION THEORY URANIUM uranyl URANYL COMPLEXES
Online-Zugang:	Volltext
Tags:	Tag hinzufügen Keine Tags, Fügen Sie den ersten Tag hinzu!