[(μ-(s-cis-1,2,3,4-η:s-cis-5,6,7,8-η-PhCH=CHCH=CHCH=CHCH=CHPh))(IRuCl(η(5)-pentamethylcyclopentadenyl))2] | 201018-31-7

• 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: [(μ-(s-cis-1,2,3,4-η:s-cis-5,6,7,8-η-PhCH=CHCH=CHCH=CHCH=CHPh))(IRuCl(η(5)-pentamethylcyclopentadenyl))2]
• 英文别名: chlororuthenium(1+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene;[(1E,3E,5E,7E)-8-phenylocta-1,3,5,7-tetraenyl]benzene
• CAS: 201018-31-7
• 化学式: C₄₀H₄₈Cl₂Ru₂
• 分子量: 801.867
• InChiKey: BAASHCJMZIYQCQ-DTEFEJJTSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  12.79
• 重原子数：
  44
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  [Ru(μ3-Cl)((CH3)5C5)]4 、 1,8-Diphenyl-1,3,5,7-octatetraen 以 四氢呋喃 为溶剂， 以74%的产率得到[(μ-(s-cis-1,2,3,4-η:s-cis-5,6,7,8-η-PhCH=CHCH=CHCH=CHCH=CHPh))(IRuCl(η(5)-pentamethylcyclopentadenyl))2]
  参考文献：
  名称：

  1,8-Diphenylocta-1,3,5,7-tetraene Complexes of Ruthenium(II):  Crystal Structures of [μ-(s-cis-1,2,3,4-η:s-cis-5,6,7,8-η-PhCHCHCHCHCHCHCHCHPh)(RuClCp*)₂] and [μ-(s-trans-1,2,3,4-η:s-trans-5,6,7,8-η-PhCHCHCHCHCHCHCHCHPh){Ru(acac)₂}₂]

  摘要：

  Reaction of 1,8-diphenyl-1,3,5,7-octatetraene with [Ru(mu Cl)Cp*](4) (1) (Cp* = eta(5)-pentamethylcyclopentadienyl) gave [mu(s-cis-1,2,3,4-eta:s-cis-5,6,7,8-eta-PhCH=CHCH-CHCH-CHCH-CHPh)(RuClCp*)(2)] (2), whose crystal structure revealed that 2 has a planar tetraene backbone coordinated by two Cp*RuCl moieties in s-cis-eta(4)-fashion; while the reaction with Ru(acac)(3)/Zn system resulted in the formation of [mu(s-trans-1,2,3,4-eta:s-trans-5,6,7,8-eta-PhCH=CHCH=CHCH=CHCH=CHPh){Ru(acac)(2)}(2)] (3), where both of the two Ru(acac)(2) moieties prefer s-trans coordination and thus the plane of the octatetraene backbone of 3 is deformed into an S-shape. Electrochemical studies for complexes 2 and 3 revealed that they have a coupling between the two ruthenium centers and are conjugatively interacted d pi-p pi organometallic systems.

  DOI：

  10.1021/om970534h