[ReCl(1-(2-pyridylazo)-2-naphthol(1-))2] | 1072811-12-1

• 英文名称: [ReCl(1-(2-pyridylazo)-2-naphthol(1-))2]
• CAS: 1072811-12-1
• 化学式: C₃₀H₂₀ClN₆O₂Re
• 分子量: 718.188
• InChiKey: XFVBQBXYWFZUGZ-PMEKQEAXSA-K

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：

  (乙酰腈)三氯化二(三苯基膦)铼 、 1-(2-吡啶偶氮)-2-萘酚 以 氯仿 为溶剂， 以65%的产率得到[ReCl(1-(2-pyridylazo)-2-naphthol(1-))2]
  参考文献：
  名称：

  Seven-coordinate rhenium(III) complexes of 1-(2-pyridylazo)-2-naphtholate: X-ray studies, spectroscopic characterization and DFT calculations

  摘要：

  The reactions of [ReX3(MeCN)(PPh3)(2)] (X = Cl or Br) with 1-(2-pyridylazo)-2- naphthol (HPAN) have been examined and the [ReBr(PAN)(2)] center dot 2CHCl(3) (1) and [ReCl(PAN)(2)] (2) complexes have been obtained. The both complexes have been structurally and spectroscopically characterized, and compound I has been additionally studied by magnetic measurements. The magnetic behavior is characteristic of mononuclear seven-coordinated Re(III) complex with d(4) IOW-spin configuration, which gives diamagnetic ground state. The electronic structure of [ReBr(PAN)21 has been calculated with the density functional theory (DFT) method. The time-dependent DFT calculations have been employed to calculate the electronic spectrum of [ReBr(PAN)(2)], and the UV-Vis spectra of the [ReX(PAN)(2)] compounds have been discussed on this basis. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2008.06.012