[(η(5)-C5H5)Ru(η(6)-C6Me6)](1+) | 72804-77-4

• 英文名称: [(η(5)-C5H5)Ru(η(6)-C6Me6)](1+)
• CAS: 72804-77-4
• 化学式: C₁₇H₂₃Ru
• 分子量: 328.44
• InChiKey: RZWNFCGWROLCGK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  [(η(5)-C5H5)Ru(η(6)-C6Me6)](1+) 在 1percent sodium amalgam 作用下， 以 四氢呋喃 为溶剂， 以58%的产率得到cyclopenta-1,3-diene;5-(1,2,3,4,5,6-hexamethylcyclohexa-2,4-dien-1-yl)-1,2,3,4,5,6-hexamethylcyclohexa-1,3-diene;ruthenium(2+)
  参考文献：
  名称：

  19-Electron arenecyclopentadienyl complexes of ruthenium

  摘要：

  A series of arenecyclopentadienyl complexes, i.e., [Ru(eta(5)-C(5)R(5))(eta(6)-arene)](+) (1, R = H, arene = C6H6; 2, R = Me, arene = C6H6; 3, R = H, arene = C(6)H(3)Me(3); 4, R = Me, arene = C(6)H(3)Me(3); 5, R = H, arene = C(6)Me(6); 6, R = Me, arene = C(6)Me(6)) was studied by cyclic voltammetry. These compounds are capable of both oxidation and reduction. The reduction potential values depend on the number of methyl groups in the complex. Reduction of benzene complexes 1 and 2 by sodium amalgam in THF leads to the formation of decomplexation products, the addition of hydrogen to benzene, and dimerization of the benzene ligands. Both chemical and electrochemical reductions of mesitylene complexes 3 and 4 result in dimeric products [(eta(5)-C(5)R(5))Ru(mu-eta 5:eta 5-Me(3)H(3)C(6)C(6)H(3)Me(3))Ru(eta(5)-C(5)R(5))] (14, R = H; 15, R = Me). The action of sodium amalgam on compound 5 gives products of hydrogen addition to both hexamethylbenzene (17) and cyclopentadienyl (18) ligands along with the major product, the dimer [(eta(5)-C5H5)Ru(mu-eta(5):eta(5)-Me(6)C(6)C(6)Me(6))Ru(eta(5)-C5H5)] (16). In contrast to 5, its permethylated analog 6 is only capable of adding hydrogen to the hexamethylbenzene ligand.

  DOI：

  10.1007/bf01431794
• 作为产物：
  描述：

  [RuCl2(hexamethylbenzene)]2 、 (η5-pentamethylcyclopentadienyl)(η5-cyclopentadienyl)ruthenium(II) 在 AgSO₃CF₃ 作用下， 以 硝基甲烷-d3 为溶剂， 生成 [(η(5)-C5H5)Ru(η(6)-C6Me6)](1+) 、 {(μ-cyclopentadienyl)bis(pentamethylcyclopentadienyl)ruthenium}(1+)
  参考文献：
  名称：

  三层建筑。9.具有桥环戊二烯基配体的三层复合物和新型环戊二烯基转移反应

  摘要：

  The pentamethylmetallocenes CpMCp* (M = Ru, Fe) react with [Cp*Ru(OMe)]2/CF3SO3H in ether to give triple-decker salts [Cp*M(mu-Cp)RuCp*]CF3SO3 (4.CF3SO3, M = Ru; 5.CF3SO3, M = Fe) with an unsubstituted Cp as the bridging ligand. The structure of 4.CF3SO3.THF shows average metal-ring distances of 177.6(1) pm for the outer Cp* ligands and of 185.5(1) pm for the bridging Cp ring. The metalloelectrophiles [LM(solv)3]2+, generated from the dichlorides [(C6Me6)RuCl2]2, (Cp*RhCl2)2, (Cp*IrCl2)2, [(C4Me4)PtCl2]2, and AgCF3SO3 in MeNO2-d3, react with CpRuCp* at room temperature to undergo novel cyclopentadienyl transfer reactions, thus forming the cations [LMCp]+ besides 4+. With CpFeCp* labile triple-decker dications [LMCpFeCp*]2+ are formed in MeNO2-d3 at 0-degrees-C while at higher temperature cyclopentadienyl transfer (for Ru, Ir) or alternatively redox reactions (for Rh, Pt) are observed. [(C6Me5)Ru(acetone)3](CF3SO3)2 reacts with Fe(C5H4CHO)2 in acetone to give, after crystallization from CHCl3, [(C6Me6)Ru(C5H4CHO)]CF3SO3.CHCl3 (70%). Extended Huckel MO calculations for CpFeCp* reveal weaker bonds to the Cp side and an asymmetric charge distribution with total net charges of -0.093 for the Cp and +0.104 for the Cp* fragments. This suggests that the observed regiochemistry of the stacking and ring ligand transfer reactions of 1 and 2 is primarily of electronic origin.

  DOI：

  10.1021/om00034a041