Issue 39, 2013

Two new uranyl fluoride complexes with UVI[double bond, length as m-dash]O–alkali (Na, Cs) interactions: Experimental and theoretical studies

Abstract

Two new layered 3D uranyl fluoride complexes: Na3(UO2)2F3(OH)4(H2O)2 (1) and Cs(UO2)2F5 (2) have been prepared using the hydrothermal method and characterized via single crystal X-ray diffraction. Compound 1 crystallizes in the monoclinic space group C2/c [a = 15.125(3) Å, b = 6.941(1) Å, c = 11.257(2) Å, and β = 94.76(3)°] and compound 2 in the orthorhombic space group Cmcm [a = 12.149(2) Å, b = 11.862(2) Å, c = 12.366(2) Å], respectively. Both of them possess extended 3D structures. Furthermore, UVI[double bond, length as m-dash]O–alkalis (Na, Cs) interactions were observed in two compounds, which is relatively rare in U(VI) complexes. By introducing alkali ions, the layered structures can be further assembled into three-dimensional ones. Density functional theory (DFT) studies confirmed that the interactions between the alkalis and the oxygens of uranyl mainly ionic with small proportion of covalency, which results in the formation of these uranyl fluoride complexes with 3D structures.

Graphical abstract: Two new uranyl fluoride complexes with UVI [[double bond, length as m-dash]] O–alkali (Na, Cs) interactions: Experimental and theoretical studies

Supplementary files

Article information

Article type
Paper
Submitted
28 Jun 2013
Accepted
08 Aug 2013
First published
08 Aug 2013

CrystEngComm, 2013,15, 8041-8048

Two new uranyl fluoride complexes with UVI[double bond, length as m-dash]O–alkali (Na, Cs) interactions: Experimental and theoretical studies

F. Chen, C. Wang, W. Shi, M. Zhang, C. Liu, Y. Zhao and Z. Chai, CrystEngComm, 2013, 15, 8041 DOI: 10.1039/C3CE41261J

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