[Ru(1,4,7-trimethyl-1,4,7-triazacyclononane)(CO)(PPh3)H]PF6 | 169621-93-6

• 英文名称: [Ru(1,4,7-trimethyl-1,4,7-triazacyclononane)(CO)(PPh3)H]PF6
• CAS: 169621-93-6
• 化学式: C₂₈H₃₇N₃OPRu*F₆P
• 分子量: 708.629
• InChiKey: MNAZMFNDCRCBDK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
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• 可旋转键数：
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• 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：

  [Ru(1,4,7-trimethyl-1,4,7-triazacyclononane)(CO)(PPh3)H]PF6 、 三氟甲磺酸 以 二氯甲烷-D2 为溶剂， 生成
  参考文献：
  名称：

  Synthesis, Characterization, and Acidity of Ruthenium Dihydrogen Complexes with 1,4,7-Triazacyclononane, 1,4,7-Trimethyl-1,4,7-triazacyclononane, and Hydrotris(pyrazolyl)borato Ligands

  摘要：

  Protonation of [(R)CnRuH(L)(L')](+) ((R)Cn = 1,4,7-triazacyclononane and 1,4,7-trimethyl-1,4,7-triazacyclononane; L,L' (PPh3)(2), dppe, and CO,PPh3) produced the corresponding dicationic dihydrogen complexes [(R)CnRU(H-2)(L)(L')](2+). Protonation of TpRuH(dppe) (Tp=hydrotris(pyrazolyl)borato) yielded the new monocationic dihydrogen complex [TpRu(H-2)(dppe)](+). The acidity of the dihydrogen complexes [(R)CnRU(H-2)(L)(L')](2+) and monocationic dihydrogen complexes [TpRu(H-2)(L)(L')](+) (L,L'=dppe, (PPh3)(2), CH3CN,PPh3, and CO,PPh3) has been studied. It was found that the dicationic complexes are more acidic than their monocationic Tp and Cp counterparts. [(Me)CnRu(H-2)(CO)(PPh3)](2+) was found to be more acidic than [(H)CnRu(H-2)(CO)(PPh3)](2+), probably due to the stronger H-H interaction in the latter complex. It is also noted that triazacyclononane and hydrotris(pyrazolyl)borato dihydrogen complexes with pseudo aqueous pK(a) values well above that of H3O+ can be deprotonated by H2O to form the corresponding monohydride complexes in organic/aqueous mixed solvents. It is believed that deprotonation of the dihydrogen ligands in these complexes is assisted by strong solvation of H+ by H2O.

  DOI：

  10.1021/om9710374
• 作为产物：
  描述：

  ammonium hexafluorophosphate 、 [RuHCl(CO)(PPh₃)₃] 、 乙二醇甲醚 、 1,4,7-三甲基-1,4,7-三氮杂环壬烷 以 乙二醇甲醚 为溶剂， 以60%的产率得到[Ru(1,4,7-trimethyl-1,4,7-triazacyclononane)(CO)(PPh3)H]PF6
  参考文献：
  名称：

  Synthesis, characterization and crystal structures of some half-sandwich ruthenium(II) complexes of 1,4,7-trimethyl-1,4,7-triazacyclononane containing π-acidic ancillary ligands

  摘要：

  The synthesis of a series of ruthenium(II) complexes of 1,4,7-trimethyl-1,4,7-triazacyclononane L of type [RuL(X)Y(Z)](+) containing H, O2CCF3, CO, PPh(3), dppe [1,2-bis(diphenylphosphino)ethane] or 2,6-Me(2)C(6)H(3)N=C as auxiliary ligands are described where X = Y = CO, Z = Cl 1; X, Y = dppe, Z = Cl 2; X, Y = dppe, Z = H 3; X = CO, Y = PPh(3), Z = H 4; X = Y = 2.6-Me(2)C(6)H(3)N=C, Z = O2CCF3 5. All complexes were characterized by spectroscopic methods. The crystal structures of 1 and 4 as PF6- salts have been determined. The two CO groups in complex 1 are in cis-fashion with a OC-Ru-CO angle of 90.1(3)degrees and the RU-C distances are 1.850(6) and 1.893(6) Angstrom. Complex 4 features one of the few ruthenium: complexes containing three different piano-stool ligands, namely. CO, PPh(3) and H. The measured RU-CO and Ru-H distances in 4 are 1.785(9) and 1.54(9) Angstrom respectively.

  DOI：

  10.1039/dt9950002955