(η5-indenyl)(η5-cyclopentadienyl)molybdenum(IV)((μ-CN)Cr(CO)5)2 | 681448-59-9

• 英文名称: (η5-indenyl)(η5-cyclopentadienyl)molybdenum(IV)((μ-CN)Cr(CO)5)2
• CAS: 681448-59-9；681448-58-8
• 化学式: C₂₆H₁₂Cr₂MoN₂O₁₀
• 分子量: 712.321
• InChiKey: FKKAJMPNMNMYDY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  dicyano(η5-indenyl)(η5-cyclopentadienyl)molybdenum(IV) 、 pentacarbonyl(tetrahydrofuran)chromium(0) 以 四氢呋喃 为溶剂， 以91%的产率得到(η5-indenyl)(η5-cyclopentadienyl)molybdenum(IV)((μ-CN)Cr(CO)5)2
  参考文献：
  名称：

  Cyanide–isocyanide isomers in polynuclear complexes. Reactivity and theoretical studies

  摘要：

  Cyanide-isocyanide isomeric molybdenum(IV) complexes containing an end-capping Cr(CO)(5) fragment were prepared from [IndCpMo(NCMe)(2)][BF4](2) or IndCpMo(CN)(2). Substitution of the NCMe ligand in [IndCpMo(NCMe)(2)][BF4](2) (1) by cyanide anion CN- or [Cr(CO)(5)CN](-) gave the complexes IndCpMo(CN)(2) (4) and IndCpMo{(NC)Cr(CO)(5)}(2) (3), respectively. The linkage isomer complex IndCpMo{(CN)Cr(CO)(5)}(2) (6) was prepared by the reaction of IndCpMo(CN)(2) with Cr(CO)(5)(THF). The crystal structure of 4 is built up from two independent molecules. In both, the molybdenum centre displays a pseudo-tetrahedral coordination sphere. Cyclic voltammetry revealed some electronic communication between the metal centres in the heterobimetallic complexes. DFT calculations (ADF program) were performed in order to study the electronic structure of the complexes, the relative stabilities of the NC/CN isomers, and to understand the nature of the redox processes taking place. In all complexes, reduction leads to ring slippage, which may be more or less favourable and pronounced depending on the ligands surrounding the metal; in the trinuclear species 3 and 6 oxidation takes place on the Cr(CO)5 fragment. (C) 2003 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/s0020-1693(03)00274-3