bis(2,6,6-trimethylcyclohexadienyl)ruthenium | 763110-83-4

• 英文名称: bis(2,6,6-trimethylcyclohexadienyl)ruthenium
• CAS: 763110-83-4；1034630-61-9；762297-11-0
• 化学式: C₁₈H₂₆Ru
• 分子量: 343.474
• InChiKey: JFXJDULANORIDR-UHFFFAOYSA-N

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：

  bis(2,6,6-trimethylcyclohexadienyl)ruthenium 250.0~350.0 ℃ 、66.66 Pa 条件下， 生成 钌
  参考文献：
  名称：

  New organo-Ruthenium compound, the process for its preparation and its use as a ruthenium precursor to manufacture ruthenium based film coated metal electrodes

  摘要：

  公开号：

  EP1935897B1
• 作为产物：
  描述：

  ruthenium trichloride 、 3,5,5-trimethylcyclohexa-1,3-diene 在 锌 作用下， 以 乙醇 为溶剂， 生成 bis(2,6,6-trimethylcyclohexadienyl)ruthenium
  参考文献：
  名称：

  New organo-Ruthenium compound, the process for its preparation and its use as a ruthenium precursor to manufacture ruthenium based film coated metal electrodes

  摘要：

  公开号：

  EP1935897B1

文献信息

• Synthesis, characterization and spectroscopy of alkyl substituted edge-bridged open ruthenocenes
  作者：Rein U. Kirss

  DOI：10.1016/j.ica.2004.03.029

  日期：2004.8

  The edge-bridged open ruthenocenes bis(eta(5)-6,6-dimethylcyclohexadienyl)ruthenium (1), bis(eta(5)-2,6,6-trimethylcyclohexadienyl) ruthenium (2), bis(eta(5)-3,6,6-trimethylcyclohexadienyl)ruthenium (3), bis(eta(5)-2,4,6,6-tetramethylcyclohexadienyl)ruthenium (4) are prepared by reactions between di-mu-chlorodichlorobis[(1-3eta:6-8eta)-2,7-dimethyloctadienyl] diruthenium and the corresponding dienes. Compound 4 can also be prepared in lower yield by reduction of RuCl3 (.) nH(2)O with zinc in the presence of 2,4,6,6-tetramethylcyclohexadiene. Variable temperature H-1 NMR studies of 1-4 reveal rapid rotation about the Ru-C bonds. The barrier to rotation in 4 is 7.7 kcal/mol with a gauche-eclipsed ground state conformation. Even lower barriers to rotation in 1-3 contribute to the inability to accurately measure their activation energies in toluene. (C) 2004 Elsevier B.V. All rights reserved.