[(η5-pentamethylcyclopentadienyl)Ir(4,5-dicyanobenzene-1,2-dithiolate)] | 1190101-07-5

• 英文名称: [(η5-pentamethylcyclopentadienyl)Ir(4,5-dicyanobenzene-1,2-dithiolate)]
• CAS: 1190101-07-5
• 化学式: C₁₈H₁₇IrN₂S₂
• 分子量: 517.698
• InChiKey: DRHFPQJHGPXUOA-UHFFFAOYSA-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：

  bis[dichloro(pentamethylcyclopentadienyl)iridium(III)] 、 sodiumsulfide nonahydrate 、 4,5-二氯邻苯二甲腈 以 二氯甲烷 、 丙酮 为溶剂， 以47%的产率得到[(η5-pentamethylcyclopentadienyl)Ir(4,5-dicyanobenzene-1,2-dithiolate)]
  参考文献：
  名称：

  Organometallic dithiolene complexes of benzenedithiolate analogues with π-coordinating and π-interacting Cp* ligand

  摘要：

  Organometallic dithiolene complexes, which were formulated as [Cp*M(dcbdt)] and [Cp*M(dcdmp)] (M = Co, Rh, Ir; Cp* = eta(5)-pentamethylcyclopentadienyl, dcbdt = 4,5-dicyanobenzene-1,2-dithiolate, dcdmp = 2,3-dicyano-5,6-dimercaptopyrazine) were prepared from a low valent Cp*Co-I or high valent Cp*M-III species (M-III = Co-III, Rh-III, Ir-III). The UV-Vis absorption spectral and electrochemical data of them were obtained. The lowest absorption (HOMO-LUMO) energies of them became redshift in order of the Co > Rh > Ir complexes. The reduction potentials suggested that the central metal modifies their LUMO levels. The molecular and crystal structures of [Cp*Co(dcbdt)] (3a), [Cp*Co(dcdmp)] (4a) and [Cp*Rh(dcdmp)] (4b) were determined by X-ray diffraction studies. The cobalt complexes 3a and 4a were monomeric, formally 16-electron complexes and have two-legged piano-stool geometries. The crystal structure of 3a indicated some plane-to-plane intermolecular interactions such as benzene center dot center dot center dot benzene interaction on the dcbdt ligand and two Cp*center dot center dot center dot benzene pi-pi stackings. 4a showed plane-to-plane interaction with a pseudo-4-fold-symmetry arrangement between the pyrazine moieties on the dcdmp ligand. The rhodium complex 4b was dimeric in the crystal to form a criss-cross arrangement and had a three-legged piano-stool geometry, but it was monomerized in solution. The dimer of 3b was observed in the oxidation process of the cyclic voltammogram. (C) 2009 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2009.05.022