Os3Br(CO)10(CNCH2C6H5)(η3-C5H5) | 157674-19-6

• 英文名称: Os3Br(CO)10(CNCH2C6H5)(η3-C5H5)
• CAS: 157674-19-6
• 化学式: C₂₁H₁₂BrNO₁₀Os₃
• 分子量: 1088.83
• InChiKey: MDZHQFRYAZXLTD-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
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• 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：

  、 3-溴丙烯 以 二氯甲烷 为溶剂， 以75%的产率得到Os3Br(CO)10(CNCH2C6H5)(η3-C5H5)
  参考文献：
  名称：

  配位异氰酸酯对Tri簇中烯丙基溴的氧化加成的促进作用

  摘要：

  The unique linear triosmium clusters Os3Br(CO)10(CNR)(eta3-C3H5) (2) are prepared by reaction of Os3(CO)10(CNR)(NCMe) with allyl bromide. The reaction rate is faster in CH2-CL2 than in cyclohexane. The oxidative addition of allyl bromide to the triosmium cluster is likely to involve a partial heterolytic metal-metal bond fission pathway, and the coordinated isocyanide ligand plays an important role in determining the regioselectivity and the transformation of allyl bromide in the coordination sphere of the cluster. In the absence of the coordinated isocyanide ligand, complex Os3(CO)11(NCMe) reacts with allyl bromide in CH2Cl2 to afford a similar linear complex Os3Br(CO)11(eta3-C3H5) (4) with a slower rate. Complex Os3Br(CO)10(CNPr)(eta3-C3H5) (2a) crystallized in the triclinic space group P1BAR with a = 10.518(5) angstrom, b = 12.026(2) angstrom, c = 19.116(3) angstrom, a = 89.98(1)-degrees, beta = 90.13(3)-degrees, gamma = 93.23(3)-degrees, V = 2414(1) angstrom3, Z = 4, R = 4.7%, and R(w) = 5.1% for 3810 observed reflections. Both the bromide and the, isocyanide ligands coordinate equatorially at the first Os atom, while the allyl group occupIes an axial and an equatorial site on the third Os metal center in the linear triosmium cluster.

  DOI：

  10.1021/om00020a034