SrFe0.5Ru0.5O2: Square-Planar Ru2+ in an Extended Oxide

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• 作者：Fabio Denis Romero ; Steven J. Burr ; John E. McGrady ; Diego Gianolio ; Giannantonio Cibin ; Michael A. Hayward
• 刊名：The Journal of the American Chemical Society
• 出版年：2013
• 出版时间：February 6, 2013
• 年：2013
• 卷：135
• 期：5
• 页码：1838-1844
• 全文大小：407K
• 年卷期：v.135,no.5(February 6, 2013)
• ISSN：1520-5126

文摘

Low-temperature topochemical reduction of the cation disordered perovskite phase SrFe_0.5Ru_0.5O₃ with CaH₂ yields the infinite layer phase SrFe_0.5Ru_0.5O₂. Thermogravimetric and X-ray absorption data confirm the transition metal oxidation states as SrFe_0.5²⁺Ru_0.5²⁺O₂; thus, the title phase is the first reported observation of Ru²⁺ centers in an extended oxide phase. DFT calculations reveal that, while the square-planar Fe²⁺ centers adopt a high-spin S = 2 electronic configuration, the square-planar Ru²⁺ cations have an intermediate S = 1 configuration. This combination of S = 2, Fe²⁺ and S = 1, Ru²⁺ is consistent with the observed spin-glass magnetic behavior of SrFe_0.5Ru_0.5O₂.