[Ru(η-C5H5)Cl(P(OPh)3)2] | 59557-52-7

• 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: [Ru(η-C5H5)Cl(P(OPh)3)2]
• 英文别名: RuCl(triphenoxyphosphine)2(η-C5H5)；chlororuthenium(1+);cyclopenta-1,3-diene;triphenyl phosphite
• CAS: 59557-52-7
• 化学式: C₄₁H₃₅ClO₆P₂Ru
• 分子量: 822.196
• InChiKey: OVRREJTZXIEGTI-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  12.99
• 重原子数：
  51
• 可旋转键数：
  12
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  55.4
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  [Ru(η-C5H5)Cl(P(OPh)3)2] 在 sodium 作用下， 以 甲醇 为溶剂， 以76%的产率得到Ru(triphenoxyphosphine)2(η-C5H5)
  参考文献：
  名称：

  Bruce, Michael I.; Humphrey, Mark G.; Swincer, A. Geoffrey, Australian Journal of Chemistry, 1984, vol. 37, p. 1747 - 1756

  摘要：

  DOI：
• 作为产物：
  描述：

  亚磷酸三苯酯 、 二(三苯基膦)环戊二烯基氯化钌(II) 以 萘烷 为溶剂， 以24%的产率得到[Ru(η-C5H5)Cl(P(OPh)3)2]
  参考文献：
  名称：

  Cyanide Ligand Basicities in Cp‘M(L)₂CN Complexes (M = Ru, Fe). Correlation between Heats of Protonation and νCN

  摘要：

  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.

  DOI：

  10.1021/ic971124o

文献信息

• Cyclometallation reactions. Part 16. Some reactions of η-cyclopentadienylruthenium phosphine complexes
  作者：Michael I. Bruce、Richard C. F. Gardner、F. Gordon A. Stone

  DOI：10.1039/dt9760000081

  日期：——

  ortho-Metallation reactions of several η-cyclopentadleylruthenium complexes are described. The complex [RuMe(ηC5H5)(PPh3)2] affords [[graphic omitted]Ph2)(ηC5H5)(PPh3)], which with hexafluorobut-2-yne gives [[graphic omitted]Ph2}(ηC5H5)]. The tripheyl phosphite complex [Ru(η-C5H5)ClP(OPh)3}2] on heating yields [[graphic omitted](OPh)2}(η-C5H5)P(OPh)3}].With azobenzenes, m-RC6H4N:Nph (R = H, Me, OMe

  描述了几种η-环戊二钌钌配合物的邻位金属化反应。络合物[RuMe（ηc为5 ħ 5）（PPH 3）2 ]得到[[图形省略]博士2）（ηc为5 ħ 5）（PPH 3）]，其与六氟丁-2-炔给出[[图形省略] pH值2 }（ηc为5 ħ 5）]。的三苯基磷酸盐络合的[Ru（η-C 5 H ^ 5）氯P（OPH）3 } 2在加热产率] [[图形省略]（OPH）2 }（η-C 5 H ^ 5）P（OPH）3。}]以偶氮苯，中号-RC 6 ħ 4 N：NPH（R = H，Me中的OME，CO 2 Et或CF 3），络合物[RuMe（ηc为5 ħ 5）（PPH 3） 2 ]得到异构体[[图形省略]℃的混合物6 ħ 4）Z-（η-C 5 H ^ 5）（PPH 3）]（Y = H，Z = R：或Y = R，Z = H）。使用m -RC 6 H 4 N：NC 6 F 5（R = H，Me或CF 3），络合物[[未显示图形]