[(C5(CH3)5)IrCl)2(μ-H)2] | 56086-50-1

• 分子结构分类: 有机化合物 - 碳氢化合物 - 芳香烃
• 英文名称: [(C5(CH3)5)IrCl)2(μ-H)2]
• 英文别名: [(η5-C5Me5)Ir(Cl)(μ-H)]2；[Cp*Ir(Cl)(μ-H)]2；hydride;iridium(3+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene;dichloride
• CAS: 56086-50-1；84029-37-8
• 化学式: C₂₀H₃₂Cl₂Ir₂
• 分子量: 727.82
• InChiKey: SHWZEGRXMGZRAU-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  0.12
• 重原子数：
  24
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  噻吩 、 [(C5(CH3)5)IrCl)2(μ-H)2] 以 苯 为溶剂， 以8.1%的产率得到[((CH₃)5C₅)Ir(Cl)]2(H)(SC₄H₆)Ir(Cl)((CH₃)5C₅)
  参考文献：
  名称：

  Hydrodesulfurization of Thiophene and Benzothiophene to Butane and Ethylbenzene by a Homogeneous Iridium Complex

  摘要：

  Reaction of the dimer [Cp*IrHCl](2) (Cp* = eta(5)-C5Me5) in benzene solution with either thiophene or benzothiophene at 90 degrees C in the presence of H-2 gives the hydrogenolysis products [Cp*IrCl](2)(mu-H)(mu-SC4H9) (1) and [Cp*IrCl](2)(mu-H)[mu-S(C-6-H-4)CH2CH3] (2), respectively, in high yields. Upon further thermolysis under H-2, the completely desulfurized products, butane and ethylbenzene, can be made. Complexes 1 and 2 were characterized by single-crystal X-ray diffraction. In the absence of H-2, reaction of [Cp*Ir HCl](2) with thiophene gives an additional trinuclear product [Cp*IrCl](3)(H)(SC4H6) (3), which was also structurally characterized.

  DOI：

  10.1021/om9610105

文献信息

• Synthesis of a New Tetrakis(hydrosulfido) Diiridium Complex and Its Conversion into Homo- and Heterometallic Sulfido−Hydrosulfido Clusters
  作者：Fusao Takagi、Hidetake Seino、Yasushi Mizobe、Masanobu Hidai

  DOI：10.1021/om0108550

  日期：2002.2.1

  either the reaction of 3 with 0.5 equiv of [(Cp*IrCl)2(μ2-H)2] or treatment of 2 with an equimolar amount of NEt3. Furthermore, reaction of 3 with 2 equiv of [Pd(PPh3)4] or a [Pd(dba)2]−PPh3 (dba = dibenzalacetone) mixture gave the Ir2Pd2 mixed-metal sulfido−hydrosulfido cluster [(Cp*Ir)2(SH)(μ3-S)2Pd(PPh3)}2(μ2-SH)] (8). X-ray analyses were undertaken to determine the detailed structures of 3, 4, 6, and

  的二铱三（hydrosulfido）络合物的[CP *的Ir（μ 2 -SH）3 IRCP *]氯（2 ;的CP * =η 5 -C 5我5）与[净反应4 ] [SH] 3在室温下小时，得到的四（hydrosulfido）复杂的[CP *铱（SH）（μ 2 -SH）2 IRCP *（SH）]（3）。复杂3溶解在苯中是热不稳定的，并转化成triiridium硫代-hydrosulfido簇[（CP * Ir）的3（μ 3 -S）（μ 2 -S）（μ 2 -SH）2 ]（4）在50°C下。相关triiridium簇[（CP * Ir）的3（μ 3 -S）（μ 2 -SH）3 ] Cl（上6）从任一反应得到3用0.5当量[（CP *的IrCl）的2（μ 2 -H）2 ]或用等摩尔量的NEt 3处理2。此外，使3与2当量的[Pd（PPh 3）4 ]或[Pd（dba）2 ] -PPh 3（dba ＝二苯并丙酮）混合物反应，得到Ir
• Dihydrido(triethylsilyl)iridium(V) complexes
  作者：Maria Jesus Fernandez、Peter M. Maitlis

  DOI：10.1021/om00073a033

  日期：1983.1