[(C5H3Me2-1,3)2Ti(μ-H)2]2Mg | 168283-46-3

• 英文名称: [(C5H3Me2-1,3)2Ti(μ-H)2]2Mg
• CAS: 168283-46-3
• 化学式: C₂₈H₄₀MgTi₂
• 分子量: 496.691
• InChiKey: VRODSXCSHPJVOZ-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：

  (C5H3Me2-1,3)2TiCl2 、 二丁基镁 以 正庚烷 、 甲苯 为溶剂， 生成 [(C5H3Me2-1,3)2Ti(μ-H)2]2Mg
  参考文献：
  名称：

  Easy formation of titanocene hydride-magnesium complexes in the (C5H5−nMen)2TiCl2 (n = 3–5)-dibutylmagnesium systems

  摘要：

  Complexes [(C(5)H(5-n)Me(n))(2)Ti(mu-H)(2)]Mg-2 (n = 3-5) separate from the (C(5)H(5-n)Me(n))(2)TiCl2-Bu(2)Mg (Bu = butyl) systems in toluene for Mg-to-Ti molar ratios 1-4 as crystalline materials. Crystal structures of the complexes (n = 5 (1): triclinic; P (1) over bar (Z = 2); a = 8.887(2) Angstrom, b = 12.142(4) Angstrom and c = 18.971(6) Angstrom; alpha = 78.96(2)degrees, beta = 86.29(3)degrees and gamma = 74.82(3)degrees) (n = 4 (2): monoclinic; C2/c (Z = 4); a = 11.331(1) Angstrom, b = 13.177(2) Angstrom and c = 22.989(2) Angstrom; beta = 99.18(1)degrees) (n = 3 (3): triclinic; P (1) over bar (Z = 4); a = 12.603(3) Angstrom, b = 13.629(3) Angstrom and c = 19.561(6) Angstrom; alpha = 70.77(2)degrees, beta = 79.36(1)degrees and gamma = 83.41(1)degrees) revealed a linear Ti-Mg-Ti arrangement with a pseudotetrahedral coordination of hydrogen atoms around the central magnesium atom. Ah the compounds show nearly identical electron spin resonance triplet-state spectra at g = 1.990 with D = 0.012-0.013 cm(-1) and E = 0, in accordance with a nearly constant Ti(III)-Ti(III) distance of 5.54-5.72 Angstrom. The complexes do not induce the polymerization of ethylene on the time scale of a month at room temperature.

  DOI：

  10.1016/0022-328x(95)00102-v