The Synthesis and Characterization of Four New Uranium(IV) Chlorophosphates: UCl<sub>4</sub>(POCl<sub>3</sub>), [U<sub>2</sub>Cl<sub>9</sub>][PCl<sub>4</sub>], UCl<sub>3</sub>(PO<sub>2</sub>Cl<sub>2</sub>), and U<sub>2</sub>Cl<sub>8</sub>(POCl<sub>3</sub>)
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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.
创建时间：
2014-09-15
