CpRu(PEt₃)₂Cl | 159474-26-7

• 分子结构分类: 有机化合物 - 碳氢化合物 - 芳香烃
• 英文名称: CpRu(PEt₃)₂Cl
• 英文别名: cyclopentadienylRu(PEt₃)₂Cl；(η(5)-C5H5)Ru(PEt3)2Cl；Cp(PEt3)2RuCl；[(C5H5)(PEt3)2RuCl]；chlororuthenium(1+);cyclopenta-1,3-diene;triethylphosphane
• CAS: 159474-26-7
• 化学式: C₁₇H₃₅ClP₂Ru
• 分子量: 437.935
• InChiKey: RGTKHSKFZAZCLL-UHFFFAOYSA-M

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：

  CpRu(PEt₃)₂Cl 、 potassium ethyl xanthogenate 以 乙醇 为溶剂， 生成
  参考文献：
  名称：

  Half-Sandwich Ruthenium Phosphine Complexes with Sulfur-Donor Ligands. X-ray Crystal Structures of [Cp*RuH(SH)(PEt₃)₂][BPh₄] and [Cp*Ru(S₂COⁱPr)(PEt₃)]

  摘要：

  The complexes [CpRuCl(PEt3)(2)] (1) and [CpRuCl((PMePr2)-Pr-i)(PPh3)] (2) react with H2S in EtOH in the presence of NaBPh4 furnishing the green persulfide derivatives [{CpRu(L)}(2)(mu-S-2)][BPh4](2) (L = (PEt3)(2), ((PMePr2)-Pr-i)(PPh3)), which were also obtained by reaction of 1 or 2 with elemental sulfur and NaBPh4 in MeOH. At variance with this, the reaction of [Cp*RuCl(PEt3)(2)] (3) with H2S in EtOH afforded the Ru-IV hydrido-metallothiol [Cp*RuH(SH)(PEt3)(2)][BPh4], which has been structurally characterized, derived from the oxidative addition of SH2 to the electron-rich Ru-II moiety {[Cp*Ru(PEt3)(2)](+)}. This compound is oxidized to yield the persulfide complex [{Cp*Ru(PEt3)(2)}(2)(mu-S-2)][BPh4](2), which was also obtained by reaction of 3 with elemental sulfur. The reaction of 1, 2, and 3 with 2-mercapto-pyridine (HSPy) in EtOH yielded cationic complexes in which HSPy is tautomerized to its 1H-pyridine-thione form as inferred from spectral data. Compound 1 reacts with potassium alkyl-xanthates KS2COR (R = Me, Et, Pr-i) yielding compounds of the type [CpRu(eta(1)-S2COR)(PEt3)(2)], whereas the reaction of 2 and 3 led respectively to the complexes [CpRu(eta(2)-S2COR)((PMePr2)-Pr-i)] and [Cp*Ru(eta(2)-S2COR)(PEt3)], which contain one bidentate xanthate and one phosphine. The X-ray crystal structure of [Cp*Ru((S2COPr)-Pr-i)(PEt3)] was determined. In analogous fashion, the reaction of 1 with sodium diethyldithiocarbamate yielded [CpRu(eta(1)-S2CNEt2)(PEt3)(2)], whereas 2 and 3 afforded the corresponding derivatives [CpRu(eta(2)-S2CNEt2)((PMePr2)-Pr-i)] and [Cp*Ru(eta(2)-S2CNEt2)(PEt3)].

  DOI：

  10.1021/om980340h
• 作为产物：
  描述：

  (cyclooctadienyl)(cyclopentadienyl)ruthenium chloride 、 三乙基膦 以 四氢呋喃 为溶剂， 以68%的产率得到CpRu(PEt₃)₂Cl
  参考文献：
  名称：

  Cucullu, Michèle E.; Luo, Lubin; Nolan, Steven P., Organometallics, 1995, vol. 14, # 1, p. 289 - 296

  摘要：

  DOI：

文献信息

• Intramolecular Diels−Alder Reactions in Ruthenium Vinylidene Complexes Containing Anthracenyl Groups
  作者：Shu-Hao Chang、Wen-Ru Tsai、Hao-Wei Ma、Ying-Chih Lin、Shou-Ling Huang、Yi-Hung Liu、Yu Wang

  DOI：10.1021/om8011294

  日期：2009.3.23

  analogous triethylphosphine complex 6′, more electron-donating triethylphosphine ligands lower the rate of the IMDA reaction. For this IMDA reaction in several vinylidene complexes, each with a nonchlorinated anthracenyl ligand, the rate of the reaction is accelerated by the presence of an unsaturated functional group at Cγ of the vinylidene ligand, particularly by a terminal alkynyl substituent. The solid-state

  分子内狄尔斯-阿尔德（IMDA）反应在一个烯丙基和chloroanthracenyl组均被结合到阳离子钌络合物的配体亚乙烯基的[Ru]═C═C（CH之间室温观察到2 CH = CH 2） CH（CH 2 CH = CH 2）（C 14 H ^ 8 Cl）的+（6 ;的[Ru] = CP（PPH 3）3 Ru）处理。亚乙烯基配体起着使烯丙基和氯蒽基接近的作用，以进行反应。对于6中的两个烯丙基，只有一个位于Cβ进行了反应。在类似的三乙基膦配合物6'中，更多的供电子三乙基膦配体降低了IMDA反应的速率。在几个亚乙烯基络合物此IMDA反应，每一个非氯化蒽基配体，该反应的速率由一个不饱和官能团的存在中C加速γ亚乙烯基配体，特别是通过一个终端炔基取代基。通过单晶X射线衍射分析已经确定了两种IMDA反应产物的固态结构。
• Photochemical studies of (η⁵-C₅H₅)Ru(PPh₃)₂Cl and (η⁵-C₅H₅)Ru(PPh₃)₂Me: formation of Si–H and C–H bond activation products
  作者：Johnathan L. Clark、Simon B. Duckett

  DOI：10.1039/c3dt52069b

  日期：——

  CpRu(PEt3)2Cl can be formed. Room temperature irradiation of the related complex CpRu(PPh3)2Me with L = PEt3, C2H4, and DMSO also produces CpRu(PPh3)(L)Me. However, when these reactions are followed by in situ laser irradiation (325 nm source) at low temperature, three solvent activated isomers (ortho, meta and para) of CpRu(PPh3)2(C6H4Me) are detected in toluene in addition to η1- and η3-coordinated

  研究CpRu（PPh 3）2 Cl和CpRu（PPh 3）2 Me对两个电子给体配体PEt 3，C 2 H 4，DMSO，CH键可活化试剂四氢呋喃，甲苯和吡啶的光化学反应性的研究，以及给出了SiH键可活化试剂HSiEt 3和HSi（Me）2 CH CH 2）。CpRu（PPh 3）2 Cl的宽带紫外线照射导致单取代产物的形成，例如CpRu（PPh 3）（PEt 3尽管可以形成热双取代的产物，如CpRu（PEt 3）2 Cl ，但对进一步的光化学反应呈惰性。在室温下辐照L = PEt 3，C 2 H 4和DMSO的相关复合物CpRu（PPh 3）2 Me也会产生CpRu（PPh 3）（L）Me。但是，在低温下进行原位激光照射（325 nm源）进行这些反应后，CpRu（PPh 3）2（C 6 H ）的三种溶剂活化的异构体（邻位，间位和对位）4 Me）中的甲苯中检测除了η 1 -和η 3个配位的
• Bridging and Terminal Half-Sandwich Ruthenium Dinitrogen Complexes and Related Derivatives: A Structural Study
  作者：Halikhedkar Aneetha、Manuel Jiménez-Tenorio、M. Carmen Puerta、Pedro Valerga、Kurt Mereiter

  DOI：10.1021/om010730v

  日期：2002.2.1

  1c]. If the reaction is performed under dinitrogen, the terminal dinitrogen complexes [CpRu(N2)(P)2][BAr‘4] [(P)2 = dippe 2a; (PMeiPr2)2 2c] are obtained. Compound 1b was obtained irrespectively of the atmosphere used, and no terminal dinitrogen complex has been detected. The crystal structures of 1a, 1b, and 2a have been determined. During one attempt to isolate the 16-electron complex [CpRu(PMeiPr2)2][BAr‘4]

  [CPRuCl（P）的反应2 [（P）] 2 ; PET（= dippe（1,2-双（二异丙基）乙烷3）2 ;（PME我镨2）2 ]用Na [巴” 4 ]（中，Ar” 4 = 3,5-双（三氟甲基）苯基）在氩气下氟苯生成对应的阳离子的16电子物种[CPRU（P）2 ] +，其中发生反应与存在即使在高纯度氩家具二氮的痕量一氧化二桥连络合物[CPRU（P）2 } 2（μ-N 2）] [BAR” 4 ] 2 [（P）2=倾角1a ; （PEt 3）2 1b ; （PMe i Pr 2）2 1c ]。如果反应在一氧化二执行，该终端一氧化二配合物[CPRU（N 2）（P）2 ] [巴” 4 ] [（P）2 = dippe 2a中; 得到（PMe i Pr 2）2 2c ]。不管所使用的气氛如何，均获得化合物1b，并且未检测到末端二氮配合物。1a，1b和2a的晶体结构已经确定。在一个试图分离16电子络合物[CPRU（PME我镨2）2
• Cyanide Ligand Basicities in Cp‘M(L)₂CN Complexes (M = Ru, Fe). Correlation between Heats of Protonation and νCN
  作者：Chip Nataro、Jiabi Chen、Robert J. Angelici

  DOI：10.1021/ic971124o

  日期：1998.4.20

  Basicities of the cyanide ligands in a series of Cp'M(L)(2)CN complexes were investigated by measuring their heats of protonation (-Delta N-CNH) by CF3SO3H in 1,2-dichloroethane solution at 25.0 degrees C to give Cp'M(L)(2)(CNH)+CF3SO3-, in which the N-H+ group is probably hydrogen-bonded o the CF3SO3- anion. Basicities (-Delta H-CNH) Of the CpRu(PR3)(2)CN complexes increase from 20.5 (PPh3) to 22.4 (PMe3) kcal/mol with increasing donor abilities of the phosphine ligands. Basicities of all the Cp'Ru(PR3)(2)CN complexes, where Cp' Cp or Cp*, are linearly correlated with their nu CN values; the nonphosphine complexes, CpRu(1,10-phen)CN and CpRu(COD)CN, do not follow the same correlation. For a large number of Cp'M(L)(2)CN complexes (M = Ru, Fe, L-2 = mono- and bidentate phosphines, CO, 1,10-phen, and COD), their nu CN values parallel nu CN values of their protonated Cp'M(L)(2)(CNH)(+) analogues. Also, P-31 NMR chemical shifts of the unprotonated Cp'M(PR3)(2)CN and protonated CpM(PR3)(2)(CNH)(+) complexes are linearly related. Despite the high basicity of Ru in Cp*Ru(PMe3)(2)Cl (30.2 kcal/mol), the CN-in Cp*Ru(PMe3)(2)CN (25.0 kcal/mol) is the site of protonation; factors that determine whether protonation occurs at the Ru or the CN- are discussed.
• Synthesis and properties of the 16-electron complex [(C5Me5)RuCl(PMeiPr2)] and of half-sandwich ruthenium hydrido complexes containing bulky monodentate phosphine ligands
  作者：M Jiménez Tenorio

  DOI：10.1016/s0022-328x(00)00176-5

  日期：2000.9.8