[(4-chlorobenzaldehyde thiosemicarbazone)bis(triphenylphosphine)hydridoiridium(III)] | 1256725-12-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [(4-chlorobenzaldehyde thiosemicarbazone)bis(triphenylphosphine)hydridoiridium(III)]
• CAS: 1256725-12-8
• 化学式: C₄₄H₃₇ClIrN₃P₂S
• 分子量: 929.484
• InChiKey: UBDVSCIJNVJMGA-GXMSUAMVSA-M

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：

  [(triphenylphosphine)3IrCl] C54H45ClIrP3, golden 、 4-氯苯甲醛缩氨基硫脲 在 triethylamine 作用下， 以 甲苯 为溶剂， 以45%的产率得到[(4-chlorobenzaldehyde thiosemicarbazone)bis(triphenylphosphine)chloroidoiridium(III)]
  参考文献：
  名称：

  Iridium assisted S–H and C–H activation of benzaldehyde thiosemicarbazones. Synthesis, structure and electrochemical properties of the resulting complexes

  摘要：

  Reaction of five 4-R-benzaldehyde thiosemicarbazones (R = OCH3, CH3, H, Cl and NO2) with [Ir(PPh3)(3)Cl] in refluxing ethanol in the presence of a base (NEt3) affords complexes of three different types, viz. 1-R, 2-R and 3-R. In the 1-R complexes the thiosemicarbazone is coordinated to iridium as a monoanionic bidentate N,S-donor forming a four-membered chelate ring. Two triphenylphosphines, a hydride and a chloride are also coordinated to the metal center. The 2-R complexes are very similar in composition and stereochemistry to the corresponding 1-R complexes, except that a second hydride is bound to iridium instead of the chloride. In the 3-R complexes, the thiosemicarbazones are coordinated to iridium as dianionic tridentate C,N,S-donors forming two adjacent five-membered chelate rings. Two triphenylphosphines and a hydride are also coordinated to the metal center. Structures of the 1-NO2, 2-NO2 and 3-NO2 complexes have been determined by X-ray crystallography. Reaction of the same 4-R-benzaldehyde thiosemicarbazones with [Ir(PPh3)(3)Cl] in refluxing toluene in the presence of NEt3 affords complexes of two types, viz. 3-R and 4-R. The 4-R complexes are very similar in composition and stereochemistry to the corresponding 3-R complexes, except that a chloride is bound to iridium instead of the hydride. Structure of the 4-CH3 complex has been determined by X-ray crystallography. In all the complexes the two PPh3 ligands are trans. All the complexes show intense MLCT transitions in the visible region. Cyclic voltammetry on the complexes shows an Ir(III)-Ir(IV) oxidation on the positive side of SCE followed by an oxidation of the coordinated thiosemicarbazone. A reduction of the coordinated thiosemicarbazone is also observed on the negative side of SCE. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2010.04.009