Multinuclear solid state NMR spectroscopy of ternary rare-earth silicides RET 2Si2 and germanides LaT 2Ge2 (RE = Sc, Y, La, Lu; T = Fe, Co, Ni, Cu, Ru, Rh, Pd, Ag, Os, Ir, Pt, Au)

被引:1
|
作者
Benndorf, Christopher [4 ]
Eckert, Hellmut [1 ,2 ]
Poettgen, Rainer [3 ]
机构
[1] Univ Munster, Inst Phys Chem, Corrensstr 28-30, D-48149 Munster, Germany
[2] Univ Sao Paulo, Inst Phys Sao Carlos, BR-13560590 Sao Carlos, SP, Brazil
[3] Univ Munster, Inst Anorgan & Analyt Chem, Corrensstr 30, D-48149 Munster, Germany
[4] Univ Leipzig, Inst Anorgan Chem & Kristallog, Johannisallee 29, D-04103 Leipzig, Germany
关键词
ternary tetrelides; solid state NMR spectroscopy; crystal structure; COMPUTER-PROGRAM; THCR2SI2; DIFFRACTION;
D O I
10.1515/zkri-2024-0068
中图分类号
O7 [晶体学];
学科分类号
0702 ; 070205 ; 0703 ; 080501 ;
摘要
A series of ternary rare earth - transition metal - tetrelides RET(2)Tt(2) (RE = Sc, Y, La, Lu; T = Fe, Co, Ni, Cu, Ru, Rh, Pd, Ag, Os, Ir, Pt, Au; Tt = Si, Ge) was synthesized by arc melting of the elements and subsequent annealing. The samples were characterized by powder X-ray diffraction and in addition, the structures of REOs2Si2 (RE = Y, La, Lu), LaAu2Si2, LaAg2Ge2 and LaAu2Ge2 were refined from single crystal X-ray diffractometer data. The tetrelides crystallize with the ThCr2Si2 type (I4/mmm) except the platinum compounds which adopt the klassengleiche superstructure of the CaBe2Ge2 type (P4/nmm). The transition metal atoms have tetrahedral tetrel coordination and the tetrahedra condense to layers via common edges. The stacking of these layers leads to Tt-Tt bonds in the ThCr2Si2 type phases and heteroatomic T-Tt bonds in the CaBe2Ge2 type phases. The rare earth atoms fill larger cages within these three-dimensional networks (coordination number 16 with RE@T(8)Tt(8)) with site symmetries 4/mmm (ThCr2Si2 type) and 4mm (CaBe2Ge2 type). Systematic multinuclear solid state NMR spectroscopic investigations allowed observing the effect of the involved rare-earth metal, transition metal and tetrel group element, respectively. In particular, Si-29 isotropic resonance shifts can be predicted from element-specific increments and interatomic Si-Si bonding interactions manifest themselves in axially symmetric magnetic shielding anisotropies.
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收藏
页码:239 / 253
页数:15
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