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Synthesis, chemical bonding and physical properties of RERhB4 (RE = Y, Dy-Lu)

机译:RERhB4的合成,化学键和物理性质(RE = Y,Dy-Lu)

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The compounds of rare-earth metals with rhodium and boron RERhB4 (RE = Y, Dy-Lu) crystallize with the orthorhombic structure type YCrB4 (space group Pbam, Pearson symbol oP24). The crystal structures of the compounds with RE = Y, Er, Tm and Yb were refined by using single-crystal diffraction data. Analysis of chemical bonding for YRhB4 and YbRhB4 was performed by electron localizability indicator and by calculation of quantum chemical charges (quantum theory of atoms in molecules). Boron and rhodium form the 3-D polyanion containing planar nets of three-bonded boron atoms interconnected by rhodium along [001]. The interaction of the RE species with the rhodium-boron polyanion is predominantly ionic. Magnetic susceptibility data of TmRhB4 and YbRhB4 showed that the RE species are in 4f(12) (Till) and 4f(13) (Yb) electronic states, respectively. In the low-temperature region, the specific heat revealed a Schottky anomaly for TmRhB4 while an antiferromagnetic transition is observed at 3.5 K for YbRhB4. X-ray absorption measurement at the Yb L, edge for YbRhB4 reveals the 4f(13) state of ytterbium. (C) 2008 Elsevier Inc. All rights reserved.
机译:稀土金属与铑和硼的RERhB4(RE = Y,Dy-Lu)化合物以正交晶体结构类型YCrB4(空间群Pbam,Pearson符号oP24)结晶。使用单晶衍射数据精制RE = Y,Er,Tm和Yb的化合物的晶体结构。 YRhB4和YbRhB4的化学键合分析是通过电子定位剂和计算量子化学电荷(分子中原子的量子理论)进行的。硼和铑形成3-D聚阴离子,其包含由三键结合的沿铑[001]相互连接的三键硼原子的平面网。 RE物种与铑-硼聚阴离子的相互作用主要是离子性的。 TmRhB4和YbRhB4的磁化率数据表明,稀土元素分别处于4f(12)(Till)和4f(13)(Yb)电子态。在低温区域,比热显示出TmRhB4的肖特基异常,而YbRhB4在3.5 K处观察到反铁磁跃迁。 YbRhB4的Yb L边缘的X射线吸收测量揭示了4的4f(13)状态。 (C)2008 Elsevier Inc.保留所有权利。

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