[UO2Cl2(phen)2], a Simple Uranium(VI) Compound with a Significantly Bent Uranyl Unit (phen=1, 10‐phenanthroline). Issue 55 (5th September 2017)

• Record Type: Journal Article
• Authors: Schöne, Sebastian; Radoske, Thomas; März, Juliane; Stumpf, Thorsten; Patzschke, Michael; Ikeda‐Ohno, Atsushi
• Is Part Of: Chemistry. Volume 23:Issue 55(2017)
• Page Start: 13574
• Page End: 13578
• Publication Date: 2017-09-05
• Subjects: crystal structure -- N-donor ligands -- phenanthroline -- quantum chemical calculations -- uranyl(VI); Chemistry -- Periodicals; 540
• DOI: 10.1002/chem.201703009
• Languages: English
• ISSNs: 0947-6539

Abstract

Abstract: A simple synthesis based on UO2 Cl2 ⋅ n H2 O and 1, 10‐phenanthroline (phen) resulted in the formation of a new uranyl(VI) complex [UO2 Cl2 (phen)2 ] (1 ), revealing a unique dodecadeltahedron coordination geometry around the uranium center with significant bending of the robust linear arrangement of the uranyl (O–U–O) unit. Quantum chemical calculations on complex1 indicated that the weak but distinct interactions between the uranyl oxygens and the adjacent hydrogens of phen molecules play an important role in forming the dodecadeltahedron geometry that fits to the crystal structure of1, resulting in the bending the uranyl unit. The uranyl oxygens in1 are anticipated to be activated as compared with those in other linear uranyl(VI) compounds. Abstract : U can do it ! A simple uranyl(VI) compound [UO2 Cl2 (phen)2 ] (phen=1, 10‐phenanthroline), which can be obtained from a simple synthesis with readily available chemicals, shows unique coordination and electronic properties.