(bis(η(5)-methylcyclopentadienyl)dihydridozirconium)2 | 68183-83-5

• 分子结构分类: 有机化合物
• 英文名称: (bis(η(5)-methylcyclopentadienyl)dihydridozirconium)2
• 英文别名: 5-methylcyclopenta-1,3-diene;zirconium(2+) dihydride
• CAS: 68183-83-5
• 化学式: C₁₂H₁₆Zr
• 分子量: 251.483
• InChiKey: XQERISNLQOPIMD-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

• 作为反应物：
  描述：

  (bis(η(5)-methylcyclopentadienyl)dihydridozirconium)2 、 (η2-benzophenone)zirconocene dimer 以 甲苯 为溶剂， 以76%的产率得到μ-(η(1)-O:η(2)-C,O-benzophenone)-μ-hydrido[bis(η(5)-methylcyclopentadienyl)hydridozirconium][bis(η(5)-cyclopentadienyl)zirconium]
  参考文献：
  名称：

  Metallaoxirane-Supported Hydrido Group 4 Metallocene Cations

  摘要：

  The (eta(2)-diaryl ketone)zirconocene dimers 17a and 17b (aryl = phenyl or p-tolyl) react with the group 4 metallocene dihydride complexes [(Cp2MH2)-Cp-R] ((Cp2M)-Cp-R = Cp2Zr, (MeCp)(2)Zr, or Cp2Hf) to yield the dimetallic compounds [mu-eta(1)-O:eta(2)-C,O-Ar2CO)ZrCp2/(H2MCp2)-Cp-R] 18a-f. These systems contain a dimetallabicyclic framework in which the two metal centers are bridged by the eta(2)-diaryl ketone ligand oxygen atom and a mu-hydride ligand. The remaining hydride ligand is trans-oriented to the mu-H moiety at the (MCp2)-Cp-R unit. The complexes 18a-c were characterized by X-ray diffraction. Treatment of the complexes 18 with B(C6F5)(3) results in the selective abstraction of the terminal hydride ligand to form the dimetallic cation complexes [(mu-eta(1)-O:eta(2)-C,O-Ar2CO)ZrCp2(mu-H)(MCp2)-Cp-R](+) 19a-f (with HB(C6F5)(3)- anion). The complexes 19 contain the intact (eta(2)-diaryl ketone)ZrCp2 unit to which a (H-(MCp2)-Cp-R)(+) cation is formally attached. They exhibit a planar dimetallabicyclic framework, in which the two group 4 metal centers are connected by means of the eta(2)-ketone oxygen atom and the mu-hydride ligand, The complexes 19a,b and e were characterized by X-ray crystal structure analyses. The complexes 19 behave chemically as adducts of the highly reactive ((Cp2M)-Cp-R-H)(+) cations with a metallaoxirane matrix. Ethene is polymerized by the systems 19 with high catalyst activities.

  DOI：

  10.1021/om980905+

文献信息

• New synthetic route for organic polyoxometallic clusters: synthetic and structural investigations on the first dumb-bell shaped polyoxozirconium hydroxide with the [Zr9(µ5-O)2(µ3-O)4(µ-O)4(µ-OH)8] core structureDedicated to Professor C. N. R. Rao on the occasion of his 70th birthday.
  作者：Guangcai Bai、Qingjun Ma、Herbert W. Roesky、Denis Vidovic、Regine Herbst-Irmer

  DOI：10.1039/b212281b

  日期：2003.3.24

  A new route for organic polyoxometallic clusters describes the first dumb-bell-like organic polyoxozirconium hydroxide [[(Cp*Zr)4(mu5-O)(mu3-O)2(mu-OH)4]2Zr(mu-O)4] x 2C7H8 (2; Cp* = C5Me5) involving the treatment of the Brønsted acidic organozirconium hydroxide [(Cp*Zr)6(mu4-O)(mu-O)4(mu-OH)8] x 2C7H8 (1) with organozirconium compounds.

  有机多金属氧簇的新路线描述了第一个哑铃形的有机多氧锆氧化物[[（（Cp * Zr）4（mu5-O）（mu3-O）2（mu-OH）4] 2Zr（mu-O） 4] x 2C7H8（2; Cp * = C5Me5），涉及布朗斯台德酸性有机氢氧化锆[（Cp * Zr）6（mu4-O）（mu-O）4（mu-OH）8]的处理x 2C7H8（1 ）与有机锆化合物。