[Ir4(μ-benzene-1,2-dithiolato)2(μ-h)2H6(P(i)Pr3)4(NCMe)] | 701255-84-7

• 分子结构分类: 有机化合物
• 英文名称: [Ir4(μ-benzene-1,2-dithiolato)2(μ-h)2H6(P(i)Pr3)4(NCMe)]
• CAS: 701255-84-7
• 化学式: C₅₀H₁₀₃Ir₄NP₄S₄
• 分子量: 1739.41
• InChiKey: DVFMKHIJHXOXME-UHFFFAOYSA-J

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：

  乙烯 、 [Ir4(μ-benzene-1,2-dithiolato)2(μ-h)2H6(P(i)Pr3)4(NCMe)] 以 氘代苯 为溶剂， 生成 [Ir4(μ-benzene-1,2-dithiolato)2(μ-h)2H6(P(i)Pr3)4(ethylene)]
  参考文献：
  名称：

  Benzene-1,2-dithiolate-induced assembly of reactive iridium fragments into tetranuclear octahydride complexes

  摘要：

  The tetrametallic compound [Ir(4)(mu-1,2-S(2)C(6)H(4))2(V-H)(2)H(6)(P(i)Pr(3))(4)(NCMe)] (1) has been obtained by treatment of the reactive cationic complex [IrH(2)(PiPr(3))(NCMe)(3)]BF(4) With the benzene-1,2-dithiolate anion. In the solid state, this tetrametallic compound exhibits an irregular nearly planar metal skeleton with the two dithiolate anions bridging the four metal centres from the same side of the tetrametallic plane. Even though all iridium atoms coordinate one P(i)Pr(3) ligand, two bridging S atoms and, at least, two hydrides, they show different electronic and coordination environments. This unusual structure is maintained in solution, even after substitution of the labile acetonitrile ligand by other Lewis bases such as ethylene or carbon monoxide. (C) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2004.02.024
• 作为产物：
  描述：

  fac-[IrH2(NCCH3)3(PiPr3)]BF4 、 1,2-苯二硫醇 在 KOH 作用下， 以 甲醇 、 丙酮 、 乙腈 为溶剂， 以44%的产率得到[Ir4(μ-benzene-1,2-dithiolato)2(μ-h)2H6(P(i)Pr3)4(NCMe)]
  参考文献：
  名称：

  Benzene-1,2-dithiolate-induced assembly of reactive iridium fragments into tetranuclear octahydride complexes

  摘要：

  The tetrametallic compound [Ir(4)(mu-1,2-S(2)C(6)H(4))2(V-H)(2)H(6)(P(i)Pr(3))(4)(NCMe)] (1) has been obtained by treatment of the reactive cationic complex [IrH(2)(PiPr(3))(NCMe)(3)]BF(4) With the benzene-1,2-dithiolate anion. In the solid state, this tetrametallic compound exhibits an irregular nearly planar metal skeleton with the two dithiolate anions bridging the four metal centres from the same side of the tetrametallic plane. Even though all iridium atoms coordinate one P(i)Pr(3) ligand, two bridging S atoms and, at least, two hydrides, they show different electronic and coordination environments. This unusual structure is maintained in solution, even after substitution of the labile acetonitrile ligand by other Lewis bases such as ethylene or carbon monoxide. (C) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2004.02.024