[Cp(*)2Zr(κ1O-O2CC6H4-4-SH)(κ2O,O'-O2CC6H4-4-SH)] | 1037687-66-3

• 英文名称: [Cp(*)2Zr(κ1O-O2CC6H4-4-SH)(κ2O,O'-O2CC6H4-4-SH)]
• CAS: 1037687-66-3
• 化学式: C₃₄H₄₀O₄S₂Zr
• 分子量: 668.045
• InChiKey: VMOWCNHSMXEYPE-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(pentamethylcyclopentadienyl)zirconium dimethyl 、 4-巯基苯甲酸 以 四氢呋喃 、 甲苯 为溶剂， 以83%的产率得到[Cp(*)2Zr(κ1O-O2CC6H4-4-SH)(κ2O,O'-O2CC6H4-4-SH)]
  参考文献：
  名称：

  4-Thiolatobenzoate-Bridged Gold/Zirconium Complex and Its Mononuclear Precursors

  摘要：

  The selective synthesis of a Au-I complex of 4-mercaptobenzoic acid, namely, [Au(SC6H4-4-COOH)(PMe2Ph)] (1), is reported. It shows interesting photoluminescence (PL) properties, for example, high PL quantum yield, multicomponent emission, and an unusually large PL lifetime. This complex was further applied as a metalloligand for the synthesis of [Cp*Zr-2{kappa O-1-OOCC6H4-4-SAu(PMe2Ph)}{kappa O-2,O'-OOCC6H4-4-SAu(PMe2Ph)}] (3), one of the rare Au-I/Zr-IV complexes. For the first time the exchange between the two ligands, which are bound in mono- and bidentate fashion, respectively, could be observed with the help of variable-temperature NMR spectroscopy. For the corresponding monometallic zirconocene complex [Cp*Zr-2(kappa O-1-O2CC6H4-4-SH)(kappa 2O,O'-O2CC6H4-4-SH)] (2) the activation parameters of this exchange could be determined by line shape analysis.

  DOI：

  10.1021/ic800203y