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Lu7Z2Te2(Z = Ni、Pd、Ru)的合成、结构与键合。在富金属化合物中连接典型的三帽三棱柱。

Synthesis, structure, and bonding of Lu7Z2Te2 (Z = Ni, Pd, Ru). Linking typical tricapped trigonal prisms in metal-rich compounds.

作者信息

Chen Ling, Corbett John D

机构信息

Department of Chemistry, Iowa State University, Ames, IA 50011, USA.

出版信息

Inorg Chem. 2004 May 31;43(11):3371-6. doi: 10.1021/ic030261k.

Abstract

The syntheses and structures of and bonding in the title compounds are described and compared with those for the isostructural orthorhombic Er(7)Ni(2)Te(2) (Imm2) and other related phases. Single-crystal data are reported for Z = Ni, Pd. The condensation of tricapped trigonal prisms (TTP) into sheets and the bridging of these by separate Lu atoms into a 3D structure are described. The interlayer separation, the Lu-Lu bonding achieved, and the polar Lu-Te bonding therewith are all affected by the size and valence energies of Te. The two Te spacers also exist in capped centered Lu(6)Te trigonal prisms. In terms of extended Hückel band analyses, the overall bonding for both Lu-Ni and Lu-Te are optimized energetically, but not for Lu-Lu. The average Lu-Lu overlap populations about each Lu appropriately increase with a decrease in the number of its Te neighbors.

摘要

描述了标题化合物的合成、结构及键合情况,并与同结构的正交晶系Er(7)Ni(2)Te(2)(Imm2)及其他相关物相进行了比较。报道了Z = Ni、Pd的单晶数据。描述了三帽三角棱柱(TTP)缩合形成片层以及通过单独的Lu原子将这些片层连接成三维结构的过程。层间间距、实现的Lu-Lu键合以及与之相关的极性Lu-Te键合均受Te的尺寸和价能影响。两个Te间隔原子也存在于帽心Lu(6)Te三角棱柱中。根据扩展休克尔能带分析,Lu-Ni和Lu-Te的整体键合在能量上得到了优化,但Lu-Lu键合并非如此。每个Lu周围的平均Lu-Lu重叠布居数随着其Te邻居数量的减少而适当增加。

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