chloro(η5-pentamethylcyclopentadienyl)(1-methyl-2-(methylthiomethyl)-1H-benzimidazole)iridium hexafluorophosphate * CH3OH | 265109-94-2

• 英文名称: chloro(η5-pentamethylcyclopentadienyl)(1-methyl-2-(methylthiomethyl)-1H-benzimidazole)iridium hexafluorophosphate * CH3OH
• CAS: 265109-94-2
• 化学式: CH₄O*C₂₀H₂₇ClIrN₂S*F₆P
• 分子量: 732.193
• InChiKey: CTHLZABEQDGZMT-UHFFFAOYSA-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：

  甲醇 、 tert-butylammonium hexafluorophosphate(V) 、 二氯(五甲基环戊二烯基)合铱(III)二聚体 、 (9ci)-1-甲基-2-[(甲基硫代)甲基]-1H-苯并咪唑 以 甲醇 为溶剂， 生成 chloro(η5-pentamethylcyclopentadienyl)(1-methyl-2-(methylthiomethyl)-1H-benzimidazole)iridium hexafluorophosphate * CH3OH
  参考文献：
  名称：

  Structures and properties of complexes [MCl(C5Me5)(N∧S)](PF6), M=Rh, Ir, with N∧S=1-methyl-2-(alkylthiomethyl)-1H-benzimidazole ligands

  摘要：

  The four complexes [MCl(C5Me5)(N <^> S)](PF6), M = Rh, Ir; N <^> S = 1-methyl-2-(methylthiomethyl)-1H-benzimidazole (mmb) and 1-methyl-2-(tert-butylthiomethyl)-1H-benzimidazole (mtb) were synthesized and characterized by spectroscopy, electrochemistry and X-ray crystallography (as methanol solvates). The essential coordination features, viz., longer M-S (ca. 2.38 Angstrom) and shorter M-N bonds (ca. 2.09 Angstrom) in five-membered chelate rings are common to all four species. Cyclic voltammetry reveals irreversible two-electron reduction to M-I complexes and partially reversible oxidation to Ir-IV species for [IrCl(C5Me5)(mtb)](+). The results are discussed in comparison with those obtained for alpha-diimine (N <^> N) complexes of the [MCl(C5Me5)](+) fragments. (C) 2000 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0022-328x(99)00544-6