Cp(*)Ir(PPh3)(maleonitriledithiolate) | 166528-69-4

• 英文名称: Cp(*)Ir(PPh3)(maleonitriledithiolate)
• 英文别名: [Cp(*)Ir(maleonitriledithiolate)PPh3]；(Z)-1,2-dicyanoethene-1,2-dithiolate;iridium(3+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene;triphenylphosphane
• CAS: 166528-69-4
• 化学式: C₃₂H₃₀IrN₂PS₂
• 分子量: 729.929
• InChiKey: GMJAFTUCHJIWCP-DVACKJPTSA-L

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：

  (cis-1,2-dicyanoethane-1,2-dithiolato)(η5-pentamethylcyclopentadienyl)iridium 、 三苯基膦 生成 Cp(*)Ir(PPh3)(maleonitriledithiolate)
  参考文献：
  名称：

  Synthesis and characterization of half-sandwich Ir and Ru complexes containing Mnt ligand (Mnt=maleonitriledithiolate)

  摘要：

  The reaction of [Cp*IrCl(2)](2) and [(p-Cymene)RuCl(2)](2) with disodium maleonitriledithiolate (Na(2)Mnt) yield the 16-electron complexes Cp*Ir(Mnt) (1) and [(p-Cymene)Ru(Mnt)] (2). Complexes I and 2 can further react with PPh(3) to form the corresponding 18-electron complexes Cp*Ir(Mnt)PPh(3) (3) and [(p-Cymene)Ru(Mnt)PPh(3)](4). All complexes have been fully characterized by IR and NMR spectroscopy, as well as elemental analysis. The molecular structures of 1 and 4 have been confirmed by X-ray crystallography. (c) 2007 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.inoche.2007.07.023

文献信息

• Synthesis and reactivity investigation of iridium maleonitriledithiolate complexes. Redox studies and extended Hückel molecular orbital calculations on Cp∗ IrL(mnt) (where L = PMe3, PPh3, CN-t-Bu)
  作者：K. Yang、M.-J. Don、D.K. Sharma、S.G. Bott、M.G. Richmond

  DOI：10.1016/0022-328x(94)05385-o

  日期：1995.6

  to the 0/ + 1 redox couple, along with a + 1/ + 2 redox wave, the reversibility of which is highly dependent on the nature of the ancillary two-electron donor ligand (L) and the solvent. Extended Hückel calculations have been performed on the model compounds CpIr(PH3)(mnt) and CpIr(CNH)(mnt), with the results used in a discussion of the nature of the HOMO and LUMO levels in 1–3.

  环戊二烯基铱配合物Cp ∗ Ir（L）Cl 2（其中L = PMe 3，PPh 3，CN-t-Bu）与马来腈三硫代二磺酸钠（Na 2 mnt）反应生成相应的mnt取代的化合物Cp ∗ Ir（PMe 3）（mnt）（1），Cp ∗ Cp ∗ Ir（PPh 3）（mnt）（2）和Cp ∗ Ir（CN-t-Bu）（mnt）（3）。所有这些新化合物均已高收率分离，并通过IR和NMR光谱在溶液中进行了表征。2和3的固态结构通过单晶X射线衍射分析确定。2个结晶在三斜晶系空间群P与，。对于3425（I > σ（I））反射，全矩阵最小二乘优化产生R = 0.0281 。3个结晶的单斜晶系空间群P2 1 / n，其中和ž = 4上的全矩阵最小二乘法修正，得到[R = 0.0245为2266（我> 3 σ（我））反射。的氧化还原性质1 - 3已经在MeCN和CH 2 Cl 2溶剂中通过循环和旋转圆盘电极伏安技