[(η5-C5Me5)RhCl(PMe3)(2,6-dimesitylphenylthiolate)] | 1052689-62-9

• 英文名称: [(η5-C5Me5)RhCl(PMe3)(2,6-dimesitylphenylthiolate)]
• CAS: 1052689-62-9
• 化学式: C₃₇H₄₉ClPRhS
• 分子量: 695.194
• InChiKey: GCGCMYRPDBGKAH-UHFFFAOYSA-L

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：
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• sp3杂化的碳原子比例：
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• 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：

  sodium tetrakis(pentafluorophenyl)-borate 、 [(η5-C5Me5)RhCl(PMe3)(2,6-dimesitylphenylthiolate)] 以 乙醚 为溶剂， 以80%的产率得到[(η5-C5Me5)Rh(PMe3)(2,6-dimesitylphenylthiolate)][BAr(F)4]
  参考文献：
  名称：

  Reversible Heterolysis of H₂ Mediated by an M−S(Thiolate) Bond (M = Ir, Rh): A Mechanistic Implication for [NiFe] Hydrogenase

  摘要：

  Facile H-2 heterolysis was found to be mediated by coordinatively unsaturated Cp*Ir and Cp*Rh thiolate complexes. The reaction of iridium complex is reversible, and the formation of an intermediary Ir-H/thiol complex was detected. The reversible conversion between thiolate complex+H-2 and hydride complex+thiol provides an intriguing functional model of [NiFe] hydrogenase.

  DOI：

  10.1021/ja804848w
• 作为产物：
  描述：

  [(η5-C5Me5)RhCl(2,6-dimesitylbenzenethiolato)] 、 三甲基膦 以 甲苯 为溶剂， 以94%的产率得到[(η5-C5Me5)RhCl(PMe3)(2,6-dimesitylphenylthiolate)]
  参考文献：
  名称：

  Reversible Heterolysis of H₂ Mediated by an M−S(Thiolate) Bond (M = Ir, Rh): A Mechanistic Implication for [NiFe] Hydrogenase

  摘要：

  Facile H-2 heterolysis was found to be mediated by coordinatively unsaturated Cp*Ir and Cp*Rh thiolate complexes. The reaction of iridium complex is reversible, and the formation of an intermediary Ir-H/thiol complex was detected. The reversible conversion between thiolate complex+H-2 and hydride complex+thiol provides an intriguing functional model of [NiFe] hydrogenase.

  DOI：

  10.1021/ja804848w