The results of the structural determination, magnetic characterization, and theoretical calculations of a new ruthenium‐oxo complex, Li₄[Ru₂OCl₁₀]·10H₂O, are presented. Single crystals were grown using solvent methods and the crystal structure was characterized by single crystal X‐ray diffraction. Li₄[Ru₂OCl₁₀]·10H₂O crystallizes into a low‐symmetry triclinic structure (P1) due to the much smaller Li⁺ cation compared to K⁺ cation in the tetragonal complex K₄[Ru₂OCl₁₀]·H₂O. The X‐ray photoelectron spectra confirm only the single valent Ru⁴⁺ in Li₄[Ru₂OCl₁₀]·10H₂O even though two distinct Ru sites exist in the crystal structure. Magnetic measurements reveal the diamagnetic property of Li₄[Ru₂OCl₁₀]·10H₂O with unpaired electrons existing on Ru⁴⁺. Furthermore, the molecular orbital analysis matches well with the observed UV and magnetic measurements.

中文翻译：

---

Li4Ru2OCl10·10H2O：钌-氧配合物的晶体结构，磁性和键相互作用

介绍了一种新型钌-氧配合物Li ₄ [Ru ₂ OCl ₁₀ ]·10H ₂ O的结构测定，磁性表征和理论计算结果。使用溶剂法生长单晶，并通过单晶X射线衍射表征晶体结构。Li ₄ [Ru ₂ OCl ₁₀ ]·10H ₂ O结晶成低对称三斜晶结构（P 1），这是因为与四方络合物K ₄ [Ru ₂ OCl _10]中的K ⁺阳离子相比，Li ⁺阳离子小得多。]·H ₂ O的X射线光电子光谱证实只有单一价茹⁴⁺的Li ₄的[Ru ₂ OCL ₁₀ ]·10H ₂ ö即使在晶体结构中存在两个不同的Ru位点。磁性测量揭示了在Ru ⁴⁺上存在未成对电子的Li ₄ [Ru ₂ OCl ₁₀ ]·10H ₂ O的抗磁性。此外，分子轨道分析与观察到的紫外和磁测量值非常匹配。