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首页> 外文期刊>Zeitschrift fur Anorganische und Allgemeine Chemie >Intermetallic Compounds with Multiple Yttrium Sites - An 89Y Solid State NMR Spectroscopic Study
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Intermetallic Compounds with Multiple Yttrium Sites - An 89Y Solid State NMR Spectroscopic Study

机译：具有多个钇位点的金属间化合物-89Y固态NMR光谱研究

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摘要

The intermetallic compounds Y_2RuB_6, Y_2ReB_6, Y_2RhSi_3, YRh_2Si, and YPdSi were synthesized from the elements by arc-melting and subsequent annealing in sealed silica ampoules. The samples were studied by X-ray diffraction on powders. The structures of Y_2RuB_6 and Y_2RhSi_3 were refined from single crystal diffraction data:Y_2ReB_6 type, Pbam, a = 916.3(2) pm, b = 1150.3(3) pm, c = 364.37(9) pm, wR_2 = 0.1056, 942 F~2 values, 38 variables for Y_2RuB_6 and Er_2RhSi_3 type, a = 812.6(2), c = 787.2(1) pm, wR_2 = 0.0682, 369 F~2 values, 17 variables for Y_2RhSi_3. The five compounds are characterized by two or three (YPdSi), crystallographically independent yttrium sites, which were all well resolved in ~(89)Y solid state NMR spectra. The NMR signal shifts were correlated with the density of states of the s electrons at the Fermi level, resulting in a non-ambiguous assignment of the NMR signals to the various sites in the crystal structures.
机译：通过电弧熔化并随后在密封的二氧化硅安瓿瓶中退火，由这些元素合成金属间化合物Y_2RuB_6，Y_2ReB_6，Y_2RhSi_3，YRh_2Si和YPdSi。通过对粉末进行X射线衍射研究样品。 Y_2RuB_6和Y_2RhSi_3的结构由单晶衍射数据精制而成：Y_2ReB_6型，Pbam，a = 916.3（2）pm，b = 1150.3（3）pm，c = 364.37（9）pm，wR_2 = 0.1056，942 F〜 2个值，Y_2RuB_6和Er_2RhSi_3类型的38个变量，a = 812.6（2），c = 787.2（1）pm，wR_2 = 0.0682，369 F〜2值，Y_2RhSi_3的17个变量。这五个化合物的特征是两个或三个（YPdSi）晶体学上独立的钇位点，它们在〜（89）Y固态NMR光谱中均得到很好的分辨。 NMR信号的移动与费米能级上s电子的状态密度相关，从而将NMR信号明确分配给晶体结构中的各个位置。

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