详细信息    查看全文

• 作者：Matthew D. Ward ; Ian Y. Chan ; S茅bastien Leb猫gue ; James A. Ibers
• 刊名：Inorganic Chemistry
• 出版年：2014
• 出版时间：September 15, 2014
• 年：2014
• 卷：53
• 期：18
• 页码：9969-9975
• 全文大小：531K
• ISSN：1520-510X

文摘

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.