定制杂金属簇功能基块：[ReMoSe(CN)]的合成、分离、结构和 DFT 研究。
Tailoring Heterometallic Cluster Functional Building Blocks: Synthesis, Separation, Structural and DFT Studies of [Re Mo Se (CN) ].
机构信息
Nikolaev Institute of Inorganic Chemistry SB RAS, 3, Acad. Lavrentiev ave., 630090, Novosibirsk, Russia.
Univ Rennes, CNRS, ISCR (Institut des Sciences Chimiques de Rennes), UMR 6226, 35000, Rennes, France.
出版信息
Chemistry. 2019 Nov 27;25(66):15040-15045. doi: 10.1002/chem.201903321. Epub 2019 Oct 24.
Influence of the metal core composition and geometry on the structure, spectroscopic properties and redox potentials was investigated for the first time for heterometallic (Re/Mo) octahedral clusters. The discrete anionic clusters [Re Mo Se (CN) ] (x=2, 3; n=4, 5) were obtained as individual salts. Their isomeric composition and bond-length distribution were inspected using a combination of single-crystal X-ray structure analysis, NMR, EXAFS, and DFT calculations.
首次研究了金属核组成和几何形状对异金属（Re/Mo）八面体簇的结构、光谱性质和氧化还原电位的影响。得到了离散的阴离子簇[ReMoSe(CN)]（x=2，3；n=4，5）作为单个盐。使用单晶 X 射线结构分析、NMR、EXAFS 和 DFT 计算的组合，检查了它们的异构体组成和键长分布。
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