[Os(CO)10(μ-η2-quinoline-4-carboxaldehyde(1-)-N,C(2))(μ-H)] | 656260-44-5

• 英文名称: [Os(CO)10(μ-η2-quinoline-4-carboxaldehyde(1-)-N,C(2))(μ-H)]
• CAS: 656260-44-5
• 化学式: C₂₀H₇NO₁₁Os₃
• 分子量: 1007.88
• InChiKey: HSTBIFBAIZTOOR-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：

  3-喹啉甲醛 、 bis(acetonitrile)decacarbonyltriosmium 以 二氯甲烷 为溶剂， 以12%的产率得到[Os(CO)10(μ-η2-quinoline-4-carboxaldehyde(1-)-N,C(2))(μ-H)]
  参考文献：
  名称：

  Synthesis, Reduction Chemistry, and Spectroscopic and Computational Studies of Isomeric Quinolinecarboxaldehyde Triosmium Clusters

  摘要：

  The quinoline derivatives Os-3(CO)(n)(mu(m)-eta(2)-L-H)(mu-H) (L = quinoline-4-carboxaldehyde, n 10, m = 2, 4; n = 9, N-C(8) bound, m = 3, 5; n = 10, N-C(2) bound, m = 2, 6; L = quinoline-3-carboxaldehyde, n = 9, N-C(8) bound, m = 3, 7) are obtained by the reaction of Os-3(CO)(10)(CH3CN)(2) with the quinoline-3-carboxaldehyde or -4-carboxaldehyde ligand followed by photochemical decarbonylation in the case of 5 and 7. The quinoline-4-carboxaldehyde clusters and the free ligand all show reversible 1e(-) reductions, but the electron-deficient 5 shows two separate reversible 1e(-) reductions, the first at much less negative potential than for the previously investigated Os-3(Co)(9)(mu(3)-eta(2) -L-H)(mu-H) (L = phenanthridine, 1; L = 5,6-benzoquinoline, 2), while the free ligand is reduced at a more negative potential than any of the clusters. The spectroscopic properties of the clusters upon electrochemical and chemical reduction have been investigated, and in the case of 4 selective line broadening of its H-1 NMR resonances is observed. Infrared spectrophotoelectrochemistry reveals that the CO stretching modes are shifted to lower frequencies, as expected. The pattern of unpaired spin densities in the reduced clusters predicted from the DFT calculations correlates with the observed selective line broadening, and EPR measurements confirm the formation of the radical anions at g values similar to those observed for pure organic radical anions.

  DOI：

  10.1021/om030564m