[Re2(H2O)2(CO)8] | 226904-02-5

• 英文名称: [Re2(H2O)2(CO)8]
• CAS: 226904-02-5
• 化学式: C₈H₄O₁₀Re₂
• 分子量: 632.528
• InChiKey: KKAWIIUHDPAYSK-UHFFFAOYSA-N

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：

  1,2-eq,eq-[Re2(THF)2(CO)8] 、 水 以 四氢呋喃 为溶剂， 生成 [Re2(H2O)2(CO)8] 、 [Re2(THF)(H2O)(CO)8]
  参考文献：
  名称：

  1,2-eq,eq-[Re₂(CO)₈(THF)₂]:  A Reactive Re₂(CO)₈ Fragment That Easily Activates H−H and C−H Bonds

  摘要：

  The reaction of [Re-2(mu-H)(2)(CO)(8)] (1) with diazomethane at 193 K in THF-d(8) gives the unstable [Re-2(mu-H)(mu-CH3)(CO)(8)] derivative (2) containing a methyl group arising from the insertion of CH2 into a Re-H-Re bond. Isotopic perturbation of the equilibria by partial deuteration demonstrated that the methyl bridges the Re-Re bond in an unsymmetrical way, with a fast exchange between one agostic and two terminal C-H bonds. At temperatures higher than 253 K, 2 decomposes, in THF solution, with CH4 elimination to give the novel red complex 1,2-eq,eq-[Re-2(CO)(8)(THF)(2)] (3), which was characterized by NMR spectroscopy and X-ray analysis. In the solid form a staggered conformer of Ca symmetry was found. C-13 NMR analysis revealed the presence, in wet THF, of the aquo complexes [Re-2(CO)(8)(THF)(H2O)] (4) and [Re-2(CO)(8)(H2O)(2)] (5), whose formation is favored at low temperature (Delta H degrees for the formation of 5 from 4: -14.4(2) kJ mol(-1)). In solution, due to the lability of the THF ligands, 3 behaves as a "lightly stabilized" Re-2(CO)(8) fragment, capable of activating different E-H bonds. Reaction with HCl in THF leads to [Re-2(mu-H)(mu-Cl)(CO)(8)], while with H-2 the unsaturated starting material [Re-2(mu-H)(2)(CO)(8)] is obtained. In THF solution, at room temperature, reactions with phenylacetylene, styrene, and acetaldehyde give the derivatives of C-H activation [Re-2(mu-H)(mu-C drop CPh)(CO)(8)], [Re-2(mu-H)(mu-CH=C(H)Ph)(CO)(8)], and [Re-2(mu-H)(mu-eta(2)-C(Me)O)(CO)(8)]. Moreover, the activation of an sp(3) C-H bond in ethyl acetate occurs slowly when 3 is dissolved in the reactant itself, the resultant product being [Re-2(mu-H)(mu-eta(2)-CH2C(O)OEt)(CO)(8)].

  DOI：

  10.1021/om9806693