(η(5)-C5Me5)2Zr(η(2)-Se2)(CO) | 163090-92-4

• 英文名称: (η(5)-C5Me5)2Zr(η(2)-Se2)(CO)
• CAS: 163090-92-4
• 化学式: C₂₁H₃₀OSe₂Zr
• 分子量: 547.613
• InChiKey: SLSGDZZRBCXORQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
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• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  Cp'2Zr(CO)2 、 (η(5)-C5Me5)2Zr(η(2)-Se2)(CO) 生成 (η(5)-C5Me5)2Zr(Se)(CO)
  参考文献：
  名称：

  Howard; Trnka; Parkin, Organometallics, 1995, vol. 14, # 9, p. 4037 - 4039

  摘要：

  DOI：
• 作为产物：
  描述：

  、 一氧化碳 以 氘代苯 为溶剂， 以0%的产率得到(η(5)-C5Me5)2Zr(η(2)-Se2)(CO)
  参考文献：
  名称：

  Non-classical carbonyl complexes of zirconium: The syntheses, characterization, and reactivities of (η5-C5Me5)2Zr(η2-E2)(CO) (E  S, Se, Te)

  摘要：

  The non-classical zirconium carbonyl complexes Cp2(*)Zr(eta(2)-E(2))(CO) (E = S, Se, Te) have been prepared by the reactions of Cp(2)*Zr(CO)(2) with the elemental chalcogens (ca. two equivalents) at ca. 80 degrees C. Cp(2)*Zr(eta(2)-E(2))(CO) are characterized by v(CO) stretching frequencies of 2057 cm(-1) (E = S), 2037 cm(-1) (E = Se) and 2006 cm(-1) (E = Te), and the ditellurido derivative Cp(2)*Zr(eta(2)-Te-2)(CO) has been structurally characterized by X-ray diffraction. The dichalcogenido-carbonyl complexes Cp(2)*Zr(eta(2)-E(2))(CO) (E = S, Se, Te) react further with excess chalcogen to give the trichalcogenido complexes Cp(2)*Zr(eta(2)-E(3)), which have also been structurally characterized by X-ray diffraction. The formation of the tritellurido complex Cp(2)*Zr(eta(2)-Te-3) is reversible, and addition of CO (1 atm) regenerates Cp(2)*Zr(eta(2)-Te-2)(CO). In the presence of pyridine, the dichalcogenido derivatives Cp(2)TZr(eta(2)-E(2))(CO) react with Cp(2)*Zr(CO)(2) to give the terminal chalcogenido complexes Cp(2)*Zr(E)(NC5H5). Cp(2)*Zr(eta(2)-Te-2)(CO) exists in both triclinic and tetragonal modifications. Interestingly, the derived Zr-CO bond lengths for the two structures were significantly different, while the C-O bond lengths for each structure were similar. The origin of the discrepancy was determined to be crystallographic disorder in the tetragonal modification, and appropriate modeling allowed the derivation of a reasonable Zr-CO bond length for the tetragonal form.

  DOI：

  10.1016/0277-5387(94)00320-e