[Ir(η(5)-C5Me5)(η(2)-S2C2B10H10)(CO)] | 238410-53-2

• 英文名称: [Ir(η(5)-C5Me5)(η(2)-S2C2B10H10)(CO)]
• 英文别名: [η5-pentamethylcyclopentadienyl-[1,2-dicarba-closo-dodecaborane(12)-dithiolato]iridium(CO)]；[η(5)-C5Me5Ir(1,2-dicarba-closo-dodecaborane-1,2-dithiolate))CO)]；[Cp(*)Ir(CO)S2C2B10H10]
• CAS: 238410-53-2
• 化学式: C₁₃H₂₅B₁₀IrOS₂
• 分子量: 561.803
• InChiKey: DXXLPHFDTWINHB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
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• 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：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  (1,2-dicarba-closo-dodecaborane(12)-1,2-dithiolate)pentamethylcyclopentadienyliridium(III) 、 一氧化碳 以 甲苯 为溶剂， 以95%的产率得到[Ir(η(5)-C5Me5)(η(2)-S2C2B10H10)(CO)]
  参考文献：
  名称：

  单体二硫代-邻-甲碳烷基铱配合物[Ir（η5-C5Me5）（η2-S2C2B10H10）的合成，X射线晶体结构和反应性

  摘要：

  摘要五甲基环戊二烯基络合物[Cp * IrCl 2] 2与二硫代邻氨基甲酸二锂盐Li 2 [S 2 C 2 B 10 H 10]（1）在THF中的反应提供了邻氨基甲酸酯取代的化合物Cp * Ir（S 2 C 2 B 10 H 10）（2），产率高。配合物[Cp * Ir（S 2 C 2 B 10 H 10）]（2）已分离并通过X射线衍射分析进行了表征，该分析证实了配位不饱和单核配合物。配合物2与亲核试剂PMe 3，CNBu t和CO的随后加成反应产生相应的配合物[Cp * Ir（S 2 C 2 B 10 H 10）（PMe 3）]（3），[Cp * Ir（S 2 C 2 B 10 H 10）（CNBu t）]（4）和[Cp * Ir（S 2 C 2 B 10 H 10）（CO）]（5）。所有这些新化合物均已高产率分离，并通过IR和NMR光谱进行了表征。

  DOI：

  10.1016/s0020-1693(99)00064-x

文献信息

• Synthesis and Structure of Heterometallic Clusters (IrCo₂, IrFe) Containing Bridging 1,2-Dicarba-<i>c</i><i>loso</i>-dodecaborane-1,2-dichalocogenolato Ligands
  作者：Jian-Qiang Wang、Xiufeng Hou、Linhong Weng、Guo-Xin Jin

  DOI：10.1021/om049185z

  日期：2005.2.1

  The 16-electron half-sandwich iridium complexes [Cp*IrE2C2(B10H10)}] [E = S (1a), Se (1b)] (Cp* = eta(5)-C5Me5) [Cp*Ir[E2C2(B10H10)] = eta(5)-pentamethylcyclopentadienyl-[1,2-dicarbacloso-dodecaborane(12)-dichalcogenolato]iridium] reacted with Co-2(CO)(8) in toluene solution to afford the trinuclear clusters [Cp*IrE2C2(B10H10)}]Co-2(CO)(5)} [E = S (2a), Se (2b)] and mononuclear complexes [Cp*Ir(CO)E2C2(B10H10)}] [E = S (3a), Se (3b)] as byproducts. Compounds 2a and 2b contain closed IrCo2 triangle geometry with one Co-Co and two Ir-Co bonds. The dinuclear IrFe complexes [Cp*IrE2C2(B10H10)}]Fe(CO)(3)} [E = S (4a), Se (4b)] were obtained from the reactions of 1a and 1b with Fe(CO)5 in the presence of Me3NO. The molecular structures of 2a, 2b, and 4b have been determined by X-ray crystallography.
• Synthesis, crystal structure and third-order nonlinear optical properties of the hetero-metallic cluster {Cp∗Ir[S2C2(B10H10)]}2Mo(CO)2
  作者：Jian-Qiang Wang、Guo-Xin Jin

  DOI：10.1016/j.inoche.2007.01.003

  日期：2007.4

  A hetero-metallic cluster Cp*Ir[S2C2(B10H10)]}(2)Mo(CO)(2) (2) has been synthesized and structurally characterized, and their thirdorder nonlinear optical (NLO) properties have been investigated by Z-scan technique. The results indicate that 2 exhibit good NLO absorption and self-focusing effects. The hyperpolarizability gamma value is calculated to be 2.60 x 10(-29) esu for 2. (c) 2007 Elsevier B.V. All rights reserved.