TM7TM'6B8 (TM = Ta, Nb; TM' = Ru, Rh, Ir): new compounds with [B6] ring polyanions.
TM7TM'6B8 (TM = Ta, Nb; TM' = Ru, Rh, Ir): new compounds with [B6] ring polyanions.
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DOI：
10.1021/ic201978n
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发表时间：
2012-06
影响因子：
4.6
通讯作者：
Q. Zheng;M. Kohout;R. Gumeniuk;N. Abramchuk;H. Borrmann;Y. Prots;U. Burkhardt;W. Schnelle;L. Akselrud;H. Gu;A. Leithe-Jasper;Y. Grin
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文献类型：
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作者：
Q. Zheng;M. Kohout;R. Gumeniuk;N. Abramchuk;H. Borrmann;Y. Prots;U. Burkhardt;W. Schnelle;L. Akselrud;H. Gu;A. Leithe-Jasper;Y. Grin
通过元素混合物的高温热处理制备了三元硼化合物TM(7)TM'(6)B(8)（TM=Ta、Nb；TM'=Ru、Rh、Ir）。通过电子密度/电子定位方法对化学键的分析揭示了共价键合的聚阴离子[B(6)]和[TM'(6)B(2)]的形成。结构的阳离子部分包含分离的TM阳离子。与化学键分析和能带结构计算一致，所有 TM(7)TM'(6)B(8) 化合物都是金属泡利顺磁体 (TM' = Ru、Rh) 或抗磁体 (TM' = Ir)。
The ternary boron compounds TM(7)TM'(6)B(8) (TM = Ta, Nb; TM' = Ru, Rh, Ir) were prepared by high-temperature thermal treatment of mixtures of the elements. An analysis of the chemical bonding by the electron density/electron localizability approach reveals formation of covalently bonded polyanions [B(6)] and [TM'(6)B(2)]. The cationic part of the structure contains separated TM cations. In agreement with the chemical bonding analysis and band structure calculations, all TM(7)TM'(6)B(8) compounds are metallic Pauli-paramagnets (TM' = Ru, Rh) or diamagnets (TM' = Ir).