(Co(η-C5H5))2(Fe(CO)2(CNC6H3Cl2-2,6))(μ3-S)(μ3-CS) | 460718-09-6

• 英文名称: (Co(η-C5H5))2(Fe(CO)2(CNC6H3Cl2-2,6))(μ3-S)(μ3-CS)
• CAS: 460718-09-6
• 化学式: C₂₀H₁₃Cl₂Co₂FeNO₂S₂
• 分子量: 608.2
• InChiKey: HLPBBNXTOGBQBL-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：

  {(Co(η-cyclopentadienyl))2(Fe(PPh3)(CO)2)(μ3-S)(η3-CS)} 、 1,3-二氯-2-异氰基苯 以 二氯甲烷 为溶剂， 以60%的产率得到(Co(η-C5H5))2(Fe(CO)2(CNC6H3Cl2-2,6))(μ3-S)(μ3-CS)
  参考文献：
  名称：

  Substitution reactions of [{Co(η5-C5H5)}2{Fe(CO)2(PPh3)}(μ3-S)(μ3-CS)]

  摘要：

  On heating, the cluster [{CO(eta(5) -C5H5)}(2){Fe(CO)(2)(PPh3)}(mu(3)-S)(mu(3)-CS)], 1a, reacts with PR3 ligands (R = (b) MeO, (c) PhO and (d) Bu-n) by replacement of PPh3 to give [{Co(eta(5) -C5H5)}(2){Fe(CO)(2)(PR3)}(mu(3)-S)(mu(3)-CS)], 1b-d, and with CNR (R = (e) Me, (f) 2,4,6-Me3C6H2 and (g) 2,6-Cl2C6H3) by replacement of PPh3 and then CO to give [{Co(eta(5)-C5H5)}(2){Fe(CO)(2)(CNR)}(mu(3)-S)(mu(3)-CS)], 1e-g, and [{Co(eta(5)-C5H5)}(2){Fe(CO)(CNR)(2)}(mu(3)-S)(mu(3)-CS)], 2e-g. These reactions are successful only under a very limited range of conditions, i.e. with a large excess of the incoming ligand and very short reaction times and/or moderate temperatures. The CO ligands in [{Co(eta(5)-C5H5)}(2)Fe(CO)(2)(CNR)}(mu(3)-S)(mu(3)-CS)] are labile and may be replaced by more CNR in a reversible reaction or by PPh3 to give, respectively, [{Co(eta(5)-C5H5)}(2){Fe(CO)(CNR)(2)} (mu(3)-S)(mu(3)-CS)], 2e-g, and [{Co(eta(5)-C5H5)}(2)-Fe(CO)(CNR)(PPh3) (mu(3)-S)(mu(3)-CS)], 2h (R=2,6-Cl2C6H3). The IR spectra of the clusters have been studied and for the first time the absorption band in each due to the v(CS) vibration of the mu(3)-CS ligand has been identified unambiguously. Its frequency depends on the FeL3 ligand set in a predictable way and lies in the range 1022-1041 cm(-1). In the C-13-NMR spectra the mu(3)-C atom gives rise to resonances between 5 354 and 359. The clusters do not undergo bridge-terminal ligand site exchange. In particular, there is no evidence for the formation of isomers, which contain terminal CS and mu(3)-CNR ligands. (C) 2002 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-328x(02)01228-7