New mixed metal selenites and tellurites containing Pd ~(2+) ions in a square planar geometry

Zhang S.-Y.; Hu C.-L.; Mao J.-G.

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New mixed metal selenites and tellurites containing Pd ~(2+) ions in a square planar geometry

机译：方形平面几何形状中包含Pd〜（2+）离子的新型混合金属亚硒酸盐和亚碲酸盐

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Four novel mixed metal selenites or tellurites containing PdO _4 squares, namely, BaPd(SeO _3) _2, Bi _2Pd(SeO _3) _4, and Pb _2Pd(QO _3) _2Cl _2 (Q = Se, Te), have been prepared and structurally characterized by single crystal X-ray diffraction analyses. These compounds exhibit three different types of anionic structures. BaPd(SeO _3) _2 contains one-dimensional (1D) [Pd(SeO _3) _2] ~(2-) anionic chains composed of PdO _4 units linked by SeO _3 ~(2-) groups in a bidentate bridging fashion. Bi _2Pd(SeO _3) _4 exhibits a complicated 3D architecture constructed by [Bi(SeO _3)] ~+ and [Pd(SeO _3) _2] ~(2-) layers that are alternating along the a-axis. The [Pd(SeO _3) _2] ~(2-) layers are composed of Pd ~(2+) ions bridged by SeO _3 ~(2-) anions in a bidentate fashion. Pb _2Pd(QO _3) _2Cl _2 (Q = Se, Te) features zero-dimensional (0D) [Pd(QO _3)Cl _2] ~(4-) (Q = Se, Te) anionic clusters, which are further bridged by Pb ~(2+) cations into a 3D network. The results of optical diffuse-reflectance spectrum measurements and band structure calculations based on DFT methods indicate that all the compounds are wide-band-gap semiconductors.

机译：制备了四种新型的含PdO _4正方形的混合金属亚硒酸盐或亚碲酸盐，即BaPd（SeO _3）_2，Bi _2Pd（SeO _3）_4和Pb _2Pd（QO _3）_2Cl _2（Q = Se，Te）。结构上通过单晶X射线衍射分析来表征。这些化合物表现出三种不同类型的阴离子结构。 BaPd（SeO _3）_2包含一维（1D）[Pd（SeO _3）_2]〜（2-）阴离子链，该阴离子链由以SeO _3〜（2-）基团连接的PdO _4单元以双齿桥接方式构成。 Bi _2Pd（SeO _3）_4展示了由[Bi（SeO _3）]〜+和[Pd（SeO _3）_2]〜（2-）层沿a轴交替构成的复杂3D架构。 [Pd（SeO _3）_2]〜（2-）层由以Seent_3〜（2-）阴离子桥接的Pd〜（2+）离子组成。 Pb _2Pd（QO _3）_2Cl _2（Q = Se，Te）具有零维（0D）[Pd（QO _3）Cl _2]〜（4-）（Q = Se，Te）阴离子簇，这些簇被进一步桥接通过Pb〜（2+）阳离子进入3D网络。基于DFT方法的光学漫反射光谱测量结果和能带结构计算结果表明，所有化合物都是宽带隙半导体。

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《Dalton transactions: An international journal of inorganic chemistry》 |2012年第7期|共7页
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Zhang S.-Y.; Hu C.-L.; Mao J.-G.;
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New mixed metal selenites and tellurites containing Pd ~(2+) ions in a square planar geometry

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