Synthesis and Characterization of Four New Uranium(IV) Chlorophosphates: UCl4(POCl3), [U2Cl9][PCl4], UCl3(PO2Cl2), and U2Cl8(POCl3)

被引：0
|
作者：
Ward, Matthew D. [1 ]
Chan, Ian Y. [1 ]
Lebegue, Sebastien [2 ]
Ibers, James A. [1 ]
机构：
[1] Northwestern Univ, Dept Chem, Evanston, IL 60208 USA
[2] Univ Lorraine, Inst Jean Barriol, Lab Cristallog Resonance Magnet & Modelisat CRM2, CNRS,UMR 7036, F-54506 Vandoeuvre Les Nancy, France
来源：
INORGANIC CHEMISTRY | 2014年 / 53卷 / 18期
关键词：
TETRAVALENT ACTINIDE PHOSPHATES; INITIO STRUCTURE DETERMINATION; POWDER DIFFRACTION DATA; AUGMENTED-WAVE METHOD; CRYSTAL-STRUCTURE; NEUTRON-DIFFRACTION; CHEMISTRY; METALS; SYSTEM; PHASE;
D O I：
10.1021/ic501781h
中图分类号：
O61 [无机化学];
学科分类号：
070301 ; 081704 ;
摘要：
The new uranium(IV) chlorophosphate compounds UCl4(POCl3) and [U2Cl9][PCl4] have been synthesized by the solid-state reactions of U, P2O5, and PCl5 at 648 K; the compounds UCl3(PO2Cl2) and U2Cl8(POCl3) have been synthesized at 648 K with the same reactants plus added S. Their structures are, respectively, chainlike, a simple salt, three-dimensional, and sheetlike. From ab initio calculations, U2Cl8(POCl3) and UCl3(PO2Cl2) are found to be ferromagnetic, whereas UCl4(POCl3) is found to be antiferromagnetic. U2Cl8(POCl3) is a strong metal, whereas UCl3(PO2Cl2) is a weaker metal. In contrast, UCl4(POCl3) has a finite band gap, with a value of 0.35 eV.
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页码：9969 / 9975
页数：7
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