[UO2Cl2(phen)2], a Simple Uranium(VI) Compound with a Significantly Bent Uranyl Unit (phen=1,10-phenanthroline)

被引：21

作者：

Schone, Sebastian ^{[1
]}

Radoske, Thomas ^{[1
]}

Marz, Juliane ^{[1
]}

Stumpf, Thorsten ^{[1
]}

Patzschke, Michael ^{[1
]}

Ikeda-Ohno, Atsushi ^{[1
]}

机构：

[1] Helmholtz Zentrum Dresden Rossendorf HZDR, Inst Resource Ecol, Bautzner Landstr 400, D-01328 Dresden, Germany

来源：

CHEMISTRY-A EUROPEAN JOURNAL | 2017年 / 23卷 / 55期

关键词：

crystal structure; N-donor ligands; phenanthroline; quantum chemical calculations; uranyl(VI); INVERSE-TRANS-INFLUENCE; ELECTRONIC-STRUCTURE; OF-PLANE; COMPLEX; LIGAND; ION; COORDINATION; ENVIRONMENT; SILYLATION; CHEMISTRY;

D O I：

10.1002/chem.201703009

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

A simple synthesis based on UO2Cl2.nH(2)O and 1,10-phenanthroline (phen) resulted in the formation of a new uranyl(VI) complex [UO2Cl2( 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 complex 1 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 of 1, resulting in the bending the uranyl unit. The uranyl oxygens in 1 are anticipated to be activated as compared with those in other linear uranyl( VI) compounds.

引用

页码：13574 / +

页数：5

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