trans,trans-μ-oxo-bis[dichlorooxobis(pyridine)rhenium(V)] | 18702-13-1

• 英文名称: trans,trans-μ-oxo-bis[dichlorooxobis(pyridine)rhenium(V)]
• 英文别名: μ-oxo[trans-dichlorooxobis(pyridine)rhenium(V)]
• CAS: 18702-13-1；187482-62-8；66749-11-9
• 化学式: C₂₀H₂₀Cl₄N₄O₃Re₂
• 分子量: 878.63
• InChiKey: AGRZIVKOTGDGDG-UHFFFAOYSA-J

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：
  None

反应信息

• 作为反应物：
  描述：

  甲醇 、 trans,trans-μ-oxo-bis[dichlorooxobis(pyridine)rhenium(V)] 以 甲醇 为溶剂， 以34%的产率得到
  参考文献：
  名称：

  Synthesis and crystal structure of a new isomer of the μ-oxo-bis[dichlorooxobis(pyridine)rhenium(V)] complex {OReCl2py2}2O

  摘要：

  Refluxing the oxo-alkoxo complexes ReO(OR)Cl(2)py(2) (where R = CH3 and C2H5) in toluene yielded an ore-bridged dinuclear compound {OReCl(2)py(2)}(2)O, in which a trans,trans arrangement of pyridine and chloride ligands around rhenium was determined by an X-ray diffraction study. This compound contains the same linear O=Re-O-Re=O backbone as the cis,cis isomer first prepared by Wilkinson's group, and the two ReCl2N2 planes are rotated with respect to each other by 27 degrees about the backbone axis. Both stereoisomers are green, they exhibit very similar infrared and C-13 NMR spectra, but they can be distinguished from their H-1 NMR chemical shifts. An X-ray diffraction study on ReO(OCH,)Cl,py, showed the presence of a trans,trans octahedral geometry around the metal and a bent Re-O-CH3 group (156 degrees). (C) 1998 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0020-1693(98)00111-x
• 作为产物：
  描述：

  以 甲苯 为溶剂， 以80%的产率得到trans,trans-μ-oxo-bis[dichlorooxobis(pyridine)rhenium(V)]
  参考文献：
  名称：

  Synthesis and crystal structure of a new isomer of the μ-oxo-bis[dichlorooxobis(pyridine)rhenium(V)] complex {OReCl2py2}2O

  摘要：

  Refluxing the oxo-alkoxo complexes ReO(OR)Cl(2)py(2) (where R = CH3 and C2H5) in toluene yielded an ore-bridged dinuclear compound {OReCl(2)py(2)}(2)O, in which a trans,trans arrangement of pyridine and chloride ligands around rhenium was determined by an X-ray diffraction study. This compound contains the same linear O=Re-O-Re=O backbone as the cis,cis isomer first prepared by Wilkinson's group, and the two ReCl2N2 planes are rotated with respect to each other by 27 degrees about the backbone axis. Both stereoisomers are green, they exhibit very similar infrared and C-13 NMR spectra, but they can be distinguished from their H-1 NMR chemical shifts. An X-ray diffraction study on ReO(OCH,)Cl,py, showed the presence of a trans,trans octahedral geometry around the metal and a bent Re-O-CH3 group (156 degrees). (C) 1998 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0020-1693(98)00111-x

文献信息

• Synthese von Nitrenkomplexen mit N-Trimethylsilylanilin. III. Charakterisierung und Kristallstruktur von [Re(NPh)(OSiMe3)Cl(NH2Ph)(py)2][ReO4] undtrans-[Re2O3Cl4(py)4]
  作者：U. Wittern、J. Str�hle、U. Abram

  DOI：10.1002/zaac.19976230136

  日期：——

  Abstractcis‐[Re2O3Cl4(py)4] reagiert mit N‐Trimethylsilylanilin zu [Re(NPh)(OSiMe3)Cl(NH2Ph)(py)2][ReO4]. Es kristallisiert triklin in der Raumgruppe P1, mit a = 1085,0(6); b = 1185,2(6); c = 1331,4(6)pm; α = 65,91(5); β = 76,98(4); γ = 87,01(4)°, Z = 2. Im einkernigen Komplexkation ist Rev verzerrt oktaedrisch koordiniert; die beiden Pyridinliganden haben cis‐Anordnung. Die Trimethylsilyloxogruppe befindet sich in trans‐Stellung zum Phenylnitrenliganden. Letzterer weist eine lineare Bindungsfunktion ReNPh mit einem Bindungswinkel Re2N1C10 = 176,6(8)° und einem Abstand Re2N1 = 170,6(9) pm auf.Beim Edukt cis‐[Re2O3Cl4(py)4] wurde eine Isomerisierung zur trans‐Form beobachtet. Sie kristallisiert in der monoklinen Raumgruppe P21/n mit a = 895,5(3); b = 2278,4(2); c = 1259,2(3) pm; β = 102,23(1)°, Z = 4. Im Zweikernkomplex mit einem linearen O1Re1O2Re2O3‐Gerüst und den Strukturparametern: Re1O1 = 168,5(5); Re2O3 = 168,9(5); Re1O2 = 193,1(4); Re2O2 = 192,4(4) pm und Re1O2Re2 = 178,8(2)° sind die Rev‐Atome oktaedrisch koordiniert. Die beiden Chloratome und die Pyridinliganden nehmen jeweils eine trans‐Anordnung ein.Die IR‐ und Massenspektren der Verbindungen werden diskutiert.