Cp(η(5)-C5Me5)Hf[C(Ph)C(Ph)C(Ph)C(Ph)] | 185025-57-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: Cp(η(5)-C5Me5)Hf[C(Ph)C(Ph)C(Ph)C(Ph)]
• 英文别名: CpCp(*)Hf(C4Ph4)；cyclopenta-1,3-diene;hafnium(4+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene;1,3,4-triphenylbuta-1,3-dien-2-ylbenzene
• CAS: 185025-57-4
• 化学式: C₄₃H₄₀Hf
• 分子量: 735.281
• InChiKey: OKZCYPZTCVYKCI-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：

  (η5-C5H5)(η5-C5Me5)Cl2hafnium 、 1,4-dilithio-1,2,3,4-tetraphenylbutadiene 生成 Cp(η(5)-C5Me5)Hf[C(Ph)C(Ph)C(Ph)C(Ph)]
  参考文献：
  名称：

  Synthesis and Reactivity of 16-Electron Hafnocene Silyl Hydride Complexes

  摘要：

  The synthesis and reactivity of monomeric, 16-electron hafnocene silyl hydride complexes are described. The complex CpCp*Hf[Si(SiMe(3))(3)]H (1; Cp* = eta(5)-C(5)Me(5)), prepared by the reaction of CpCp*Kf(H)Cl with (THF)(3)LiSi(SiMe(3))(3), reacts rapidly with bath ethylene and diphenylacetylene with elimination of HSi(SiMe(3))(3) to afford the corresponding hafnacyclopentane and tetraphenylhafnacyclopentadiene complexes. Complex 1 reacts with acetone to give the insertion product CpCp*Hf(OCHMe(2))[Si(SiMe(3))(3)] (4). Reaction of 1 with the secondary silane H2Si(SiMe(3))(2) proceeds smoothly to the new silyl hydride complex CpCp*Hf[SiH(SiMe(3))(2)]H (5), which was characterized by X-ray crystallography. Deuterium labeling experiments indicate that the latter reaction occur's with significant scrambling of label between the SiH and HfH positions. The tertiary silane Ph(3)SiH does not react under comparable conditions. The silane H2Si(SiMe(3))(2) undergoes a similar a-bond metathesis reaction with CpCp*Hf[Si(SiMe(3))(3)]Cl, to give CpCp*Hf[SiH(SiMe(3))(2)]Cl (7). For the latter reaction, there is a photochemical dependence on the rate and course of the reaction pathway. Exposure of the reaction mixture to room light is critical for complete conversion to 7.

  DOI：

  10.1021/om9607560

文献信息

• Antimony−Antimony Bond Formation by Reductive Elimination from a Hafnium Bis(stibido) Complex
  作者：Rory Waterman、T. Don Tilley

  DOI：10.1021/ic061826q

  日期：2006.11.1

  The bis(stibido) complex CpCp*Hf(SbMes2)2 (2) was prepared and structurally characterized. Complex 2 reacts with 2 equiv of xylylisocyanide to give the bis-insertion product CpCp*Hf[C(SbMes2)=N(2,6-MeC6H3)]2 (4). The reaction of 2 with oxidants (I2 and O2) or donors (carbon monoxide and diphenylacetylene) or thermolysis promotes the reductive elimination of Sb2Mes4.

  制备了双（stibido）复合物CpCp * Hf（SbMes2）2（2），并对其结构进行了表征。配合物2与2当量的二甲苯基异氰化物反应，得到双插入产物CpCp * Hf [C（SbMes2）= N（2,6-MeC6H3）] 2（4）。2与氧化剂（I2和O2）或供体（一氧化碳和二苯乙炔）或热解的反应促进Sb2Mes4的还原消除。