(η5-pentamethylcyclopentadienyl)(η5-cyclopentadienyl)ruthenium(II) | 100462-22-4

• 分子结构分类: 有机化合物 - 碳氢化合物 - 不饱和烃
• 英文名称: (η5-pentamethylcyclopentadienyl)(η5-cyclopentadienyl)ruthenium(II)
• 英文别名: pentamethylruthenocene；(η⁵-C₅H₅)(η⁵-C₅Me₅)Ru；1,2,3,4,5-pentamethylruthenocene；Cp*RuCp；pentamethylruhenocene；RuCp(C5Me5)
• CAS: 100462-22-4
• 化学式: C₁₅H₂₀Ru
• 分子量: 301.394
• InChiKey: HQLXSYUMUGCEGJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.99
• 重原子数：
  16
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  (η5-pentamethylcyclopentadienyl)(η5-cyclopentadienyl)ruthenium(II) 在 activated MnO₂ 作用下， 以 not given 为溶剂， 生成 1-formyl-2,3,4,5-tetramethylruthenocene
  参考文献：
  名称：

  A structural rearrangement on the oxidation of 1,2-bis(ruthenocenyl) ethylene derivatives leads to unprecedented (µ-η⁶:η⁶-pentafulvadiene) diruthenium complexes

  摘要：

  Unprecedentedly stable (mu-eta(6): eta(6)-pentafulvadiene) diruthenium complexes are obtained upon 2e-oxidation of 1,2-bis(ruthenocenyl)ethylenes, prepared from the reaction of ruthenocenylaldehydes with low-valent titanium.

  DOI：

  10.1039/cc9960000025
• 作为产物：
  描述：

  [Ru(C5Me5)(2-6-η-C5H5CO)] 以 neat (no solvent) 为溶剂， 以57%的产率得到(η5-pentamethylcyclopentadienyl)(η5-cyclopentadienyl)ruthenium(II)
  参考文献：
  名称：

  Hughes, Russell P.; Kowalski, Angela S., Organometallics, 1998, vol. 17, p. 270 - 273

  摘要：

  DOI：

文献信息

• Synthesis of the first 30-electron triple-decker complexes of the iron group metals with cyclopentadienyl ligands. X-Ray structure of [(η-C5H5)Ru(μ,η-C5Me5) Ru(η-C5Me5)]PF6
  作者：A.R. Kudinov、M.I. Rybinskaya、Yu.T. Struchkov、A.I. Yanovskii、P.V. Petrovskii

  DOI：10.1016/0022-328x(87)87168-1

  日期：1987.12

  The first 30-electron triple-decker complexes of the iron group metals [(η-C5R5)M(μ,η-C5Me5)M′(η-C5Me5)]PF6 were synthesized by reaction of [Fe(η-C5H5)(η-C6H6)]PF6 or [Ru(η-C5R5)(MeCN)3]PF6 (R = H, Me) with decamethylmetallocenes M′(η-C5Me5)2 (M′= Fe, Ru, Os). The pentamethylcyclopentadienyl ligand η-bonded to both metal atoms is the middle deck in these sandwich compounds. Their structure was confirmed

  铁族金属的前30个电子三重双层配合物[（η-C 5 - [R 5）M（μ，η-C 5我5）M'（η-C 5我5）] PF 6，通过合成的[Fe（η-C的反应5 ħ 5）（η-C 6 H ^ 6）] PF 6或的[Ru（η-C 5 - [R 5）（MeCN中）3 ] PF 6与decamethylmetallocenes（R = H，Me）的M'（η-C 5我5）2（M'＝ Fe，Ru，Os）。与两个金属原子键合的五甲基环戊二烯基配体是这些夹心化合物的中间平台。其结构经证实1 H和13 C 1 1个H} NMR光谱以及由[（η-C的X射线衍射研究5 ħ 5）的Ru（μ，η-C 5我5）的Ru（η -C 5 Me 5）] PF 6。
• Preparation, electrochemical oxidation, and XPS studies of unsymmetrical ruthenocenes bearing the pentamethylcyclopentadienyl ligand
  作者：Paul G. Gassman、Charles H. Winter

  DOI：10.1021/ja00226a030

  日期：1988.8

  La reaction d'oligomere du dichloro(pentamethylcyclopentadienyl) ruthenium(III) avec des sels de metaux alcalins d'une variete de derives cyclopentadienyles fournit une voie d'acces a des ruthenocenes non symetriques

  La 反应 d'oligomere du dichloro(pentamethylcyclopentadienyl) ruthenium(III) avec des sels de metaux alcalins d'une variete de衍生的环戊二烯基化合物fournit une voie d'acces a des rut​​henocenes non symetriques
• Synthesis and Redox Behavior of Ruthenium(II) 2,3,4,5-Tetramethylruthenocenylacetylide and Related Complexes. Formation of μ-η⁶:η¹-[(Cyclopentadienylidene)ethylidene]diruthenium Complexes Containing a Strong Metal−Metal Interaction
  作者：Masaru Sato、Ayako Iwai、Masanobu Watanabe

  DOI：10.1021/om990138u

  日期：1999.8.1

  Ru(C⋮CRc)(dppe)(η5-C9H7), and Ru(C⋮CRc‘)(dppe)(η5-C9H7) were determined by X-ray analysis. Cyclic voltammetry of the acetylide complexes showed two well-separated quasi-reversible waves. Chemical oxidation of ruthenium(II) 2,3,4,5-tetramethylruthenocenylacetylide complexes gave products whose stability was dependent on the ligand on the Ru(II) moiety. The 13C NMR spectrum of the oxidized species isolated

  通过1-甲酰基-2,3,4,5-四甲基钌茂与三甲基甲硅烷基重氮甲基锂的反应以及1-（2'，2'-二氯乙烯基）的反应制备1-乙炔基-2,3,4,5-四甲基钌茂铁）-2,3,4,5-四甲基钌茂金属，其是由1-甲酰基-2,3,4,5-四甲基钌茂金属与二氯甲基二乙基膦酸锂和叔丁基锂反应制得的。1-乙炔基-2,3,4,5- tetramethylruthenocene用的RuCl反应P 2 L（P 2 = 2 PPH 3或DPPE; L =η-C 5 H ^ 5， η-C 5我5，或η 5 -C 9高7）在NH 3的存在下4 PF 6或的AgBF 4，随后柱层析上停用的Al 2 ö 3，得到的Ru（C⋮CRC'）P 2 L的中度或良好的产率。茹（C⋮CRC）P 2（η 5 -C 9 ħ 7）和Ru（C⋮CRC *）P 2（η 5 -C 9 ħ 7）类似地制备（RC中，R c”，和R c *是ruthenocenyl
• Synthesis, structure and redox chemistry of 1,2-bis(ruthenocenyl)ethylene derivatives: a novel structural rearrangement to a (μ-η6∶η6-pentafulvadiene)diruthenium complex upon two-electron oxidation
  作者：Masaru Sato、Yasushi Kawata、Ayumi Kudo、Ayako Iwai、Hideki Saitoh、Shukichi Ochiai

  DOI：10.1039/a801941j

  日期：——

  Formylruthenocene, 1-formyl-1′,2′,3′,4′,5′-pentamethylruthenocene and 1-formyl-2,3,4,5-tetramethylruthenocene were treated with TiCl4–Zn in thf to afford the corresponding ethylene derivatives trans-1,2-bis(ruthenocenyl)ethylene, trans-1,2-bis(1′,2′,3′,4′,5′-pentamethylruthenocenyl)ethylene and trans-1,2-bis(2,3,4,5-tetramethylruthenocenyl)ethylene in excellent yields. Similarly, the dimethyl analogs were obtained from acetylruthenocene and 1-acetyl-1′,2′,3′,4′,5′-pentamethylruthenocene in good yields. Cyclic voltammograms of the ethylene complexes showed an irreversible two-electron oxidation wave at significantly lower potential than that of pentamethylruthenocene or ruthenocene. Two-electron chemical oxidation of these complexes with p-benzoquinone–BF3·OEt2 gave stable dicationic (µ-η6∶η6-pentafulvadiene)diruthenium complexes in moderate yields. The molecular structures of five complexes were determined by X-ray diffraction.

  2-双(钌烯基)乙烯、反式-1,2-双(1,2,3,4,5-五甲基钌烯基)乙烯和反式-1,2-双(2,3,4,5-四甲基钌烯基)乙烯的相应乙烯衍生物，收率极高。同样，从乙酰基二茂钌和 1-乙酰基-1,2,3,4,5,5-五甲基二茂钌中也能以良好的收率获得二甲基类似物。乙烯络合物的循环伏安图显示出不可逆的双电子氧化波，其电位明显低于五甲基二茂钌或钌二茂钌的电位。用对苯醌âBF3Â-OEt2 对这些络合物进行双电子化学氧化，得到了稳定的二阳离子（µ-Î-6â¶-6-五富勒烯）二钌络合物，产率适中。通过 X 射线衍射测定了五种络合物的分子结构。
• Non-symmetrically substituted ruthenocenes: synthesis, structures, and bond nature. Electronic effects of substituents in ruthenocene
  作者：D. V. Muratov、A. S. Romanov、A. R. Kudinov

  DOI：10.1007/s11172-014-0766-5

  日期：2014.11

  the energy partition analysis data, donor substituents strengthen the interaction between the [RuCp]+ and Cp´– fragments, whereas acceptor substituents weaken the interaction. This bond is predominantly electrostatic (56—59%). Based on the calculated electrostatic potentials at the ruthe-nium nucleus, it is shown that the donor ability of the substituents decreases in the following order: NMe2 > NH2

  非对称取代的 ruthenocenes CpRuCp´（Cp´ = C5H4CHO (1a)、C5H4COMe (1b)、C5H4SiMe3 (1c)、1,3-C5H3(SiMe3)2 (1d) 和 Cp* (1e)）以高浓度合成[CpRu(MeCN)3]+ 与环戊二烯阴离子反应生成。配合物 1a、b、d 的结构由 X 射线衍射分析确定。根据能量分配分析数据，供体取代基加强了 [RuCp]+ 和 Cp´- 片段之间的相互作用，而受体取代基削弱了相互作用。这种键主要是静电（56-59%）。根据计算的钌核静电势，表明取代基的供体能力按以下顺序降低：NMe2 > NH2 > OMe > Me ≈ OH > Rc > Fc ≈ Allyl ≈ H > SiMe3 > CH =CH2 ≈ Ph > PH2 > > SH ≈ F >