[(η5-C5Me5)RhCl(2,6-dimesitylbenzenethiolato)] | 1052689-60-7

• 英文名称: [(η5-C5Me5)RhCl(2,6-dimesitylbenzenethiolato)]
• 英文别名: [(η5-C5Me5)RhCl(2,6-dimesitylphenylthiolate)]
• CAS: 1052689-60-7
• 化学式: C₃₄H₄₀ClRhS
• 分子量: 619.116
• InChiKey: ANQLUINKUIDUIV-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：
  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：

  [(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
• 作为产物：
  描述：

  dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer 、 lithium 2,6-dimesitylphenyl thiolate 以 四氢呋喃 为溶剂， 以48%的产率得到[(η5-C5Me5)RhCl(2,6-dimesitylbenzenethiolato)]
  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

文献信息

• Synthesis and Reactions of Coordinatively Unsaturated Half-Sandwich Rhodium and Iridium Complexes Having a 2,6-Dimesitylbenzenethiolate Ligand
  作者：Mayumi Sakamoto、Yasuhiro Ohki、Kazuyuki Tatsumi

  DOI：10.1021/om100006r

  日期：2010.4.12

  Coordinatively unsaturated rhodium and iridium complexes bearing a bulky thiolate ligand, [Cp*M(SDmp)](BArF4) (2a, M = Rh; 2b, M = Ir; Cp* = η5-C5Me5; Dmp = 2,6-(mesityl)2C6H3; ArF = 3,5-(CF3)2C6H3) were synthesized from the reactions of [Cp*MCl]2(μ-Cl)2 with LiSDmp and NaBArF4. The metal centers in 2a and 2b weakly interact with the ipso-carbon of one of the mesityl groups in the SDmp ligand, while

  配位不饱和的铑和铱配合物带有笨重硫醇盐配体，混合[Cp * M（SDMP）]（BAR ˚F 4）（图2a，M = RH;图2b，M =铱;的Cp * =η 5 -C 5我5 ;的DMP通过[Cp * MCl] 2（μ-Cl）2与C的反应合成了= 2,6-（甲磺酰基）2 C 6 H 3； Ar F = 3,5-（CF 3）2 C 6 H 3）。 LiSDa href=https://www.molaid.com/MS_6304 target="_blank">DMP和NaBARhref=https://www.molaid.com/MS_77868 target="_blank">BAr F 4。2a和2b中的金属中心弱与相互作用本位在SDMP的异亚丙基丙酮基团之一的碳上的配体，而本位从与供体配体反应的配位球碳上解离。用2,2'-联吡啶（bpy）或1,10-菲咯啉（phen）处理2a或2b导致形成[Cp * M（SDa href=https://www.molaid.com/MS_6304 target="_blank">DMP）（bpy）]（BARhref=https://www.molaid.com/MS_77868 target="_blank">BAr F 4）（3a，M = Rh；3b，M ＝ Ir）或[Cp * M（SDa href=https://www.molaid.com/MS_6304 target="_blank">DMP）（phen）]（BARhref=https://www.molaid.com/MS_77868 target="_blank">BAr F 4）（4a，M ＝ Rh；4b，M ＝ Ir）。的反应图2a和