η5-pentamethylcyclopentadienyl tantalum bis(pentachlorophenoxide) dichloride | 562809-71-6

• 英文名称: η5-pentamethylcyclopentadienyl tantalum bis(pentachlorophenoxide) dichloride
• CAS: 562809-71-6
• 化学式: C₂₂H₁₅Cl₁₂O₂Ta
• 分子量: 917.744
• InChiKey: MDYWNODUDDWHDO-UHFFFAOYSA-J

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：

  五氯酚 、 pentamethylcyclopentadienyl tantalum(V) tetrachloride 在 三乙胺 作用下， 以 甲苯 为溶剂， 以78%的产率得到η5-pentamethylcyclopentadienyl tantalum bis(pentachlorophenoxide) dichloride
  参考文献：
  名称：

  Luminescent η5-pentamethylcyclopentadienyl tantalum(V) complexes: synthesis, characterization, and emission spectroscopy

  摘要：

  A series of eta(5)-pentamethylcyclopentadienyl tantalum(V) complexes have been prepared and their electronic and emission spectra examined. Compounds of the form Cp*TaX4 (where X = Cl, Br, OC6F5) and Cp*TaCl2X2 (where X = OC6Cl5, 2,6-OC6H3Cl2), as well as CpTaX4, have been found to luminesce at 77 K in frozen glasses (only Cp*TaCl4, reported previously, luminesces at ambient temperature in both solid and fluid solution). The shifts in luminescence maxima with ligand variation lead to the conclusion that the emissive state is a ligand-to-metal charge transfer in which the highest occupied orbital is based on the donor atom of one of the monodentate ligands and the lowest unoccupied orbital is Ta-based. (C) 2002 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0020-1693(02)01276-8