[RuCl(CH3CN)5](1+)*[(trans)-RuCl4(CH3CN)2] | 71904-15-9

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: [RuCl(CH3CN)5](1+)*[(trans)-RuCl4(CH3CN)2]
• 英文别名: trans-[Ru(II)Cl(MeCN)5][Ru(III)Cl4(MeCN)2]；trans-[chloropenta(acetonitrile)ruthenium(II)(1+)][Ru(III)Cl4(acetonitrile)(1-)]；Acetonitrile;chlororuthenium(1+);tetrachlororuthenium(1-)
• CAS: 71904-15-9
• 化学式: C₄H₆Cl₄N₂Ru*C₁₀H₁₅ClN₅Ru
• 分子量: 666.773
• InChiKey: MCWGGWHCMPMVFQ-UHFFFAOYSA-I

计算性质

• 辛醇/水分配系数(LogP)：
  7.15
• 重原子数：
  28
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  167
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  乙腈 、 水合三氯化钌 在 Me₂PhSiH 作用下， 以 乙腈 为溶剂， 以79.3%的产率得到[RuCl(CH3CN)5](1+)*[(trans)-RuCl4(CH3CN)2]
  参考文献：
  名称：

  trans-[Ru^IICl(MeCN)₅][Ru^IIICl₄(MeCN)₂]:  A Reactive Intermediate in the Homogeneous Catalyzed Hydrosilylation of Carbon Dioxide

  摘要：

  RuCl3.nH(2)O in MeCN catalyzes the hydrosilylation of carbon dioxide with n-Hex(3)SiH into n-Hex(3)SiOOCH and, with Me2PhSiH, into Me2PhSiOOCH. The initial catalyst formed is trans-[(RuCl)-Cl-II(MeCN)(5)][(RuCl4)-Cl-III(MeCN)(2)], the synthesis and structural characterization of which are described. With [(RuCl)-Cl-II(MeCN)(5)][(RuCl4)-Cl-III(MeCN)(2)] as a catalyst, Me2PhSiOOCH is produced at 313 K. Analogously, Et2SiH2, Ph2SiH2, and p-C6H4-(Me2SiH)(2) yield Et2Si(OOCH)(2), Ph2Si(OOCH)(2), and p-C6H4-(Me2SiOOCH)(2), respectively. When exposed to air, the latter compounds hydrolyze spontaneously into mixtures of silanediols, linear siloxane oligomers,and polymers, and cyclic siloxane oligomers with the release of formic acid.

  DOI：

  10.1021/om990654k