[Cr(1,4,7,11-tetraazacyclotetradecane)Cl2]PF6 | 1206607-72-8

• 英文名称: [Cr(1,4,7,11-tetraazacyclotetradecane)Cl2]PF6
• 英文别名: [Cr(isocyclam)Cl2]PF6
• CAS: 1206607-72-8
• 化学式: C₁₀H₂₄Cl₂CrN₄*F₆P
• 分子量: 468.194
• InChiKey: ILGUUTVEQHCCNV-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

• 作为反应物：
  描述：

  [Cr(1,4,7,11-tetraazacyclotetradecane)Cl2]PF6 、 重水 在 Et₃N 作用下， 以 D₂O 为溶剂， 生成 trans-[Cr(1,4,7,11-tetraazacyclotetradecane)(CN)2]PF6
  参考文献：
  名称：

  A convenient synthesis of isocyclam and [16]aneN4 and the photophysics of their dicyanochromium(III) complexes

  摘要：

  The syntheses of the tetraazamacrocyclic ligands 1,4,7,11-tetraazacyclotetradecane (isocyclam) and 1,5,9,13-tetraazacyclohexadecane ([16]aneN(4)) in two steps starting from the corresponding tetraamine and diethylmalonate is reported. The trans-dicyanochromium(III) complexes, trans-[Cr(isocyclam)(CN)(2)]PF6 and trans-[Cr([16]aneN(4))(CN)(2)]PF6 have also been prepared. Both are E-2(g) emitters with 0-0 band emission wavelengths at 721.2 and 704.8 nm, respectively. The isocyclam complex has a room temperature excited state lifetime of 147 mu s in aqueous solution which increases to 215 mu s upon macrocyclic N-H deuteration, whereas the corresponding lifetime of the [16]aneN4 complex is 25 mu s and is unaffected by macrocyclic N-H deuteration. The implications of the temperature dependence of the excited state lifetimes are also presented. (C) 2009 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2009.09.020
• 作为产物：
  描述：

  ammonium hexafluorophosphate 、 cis-dichloro(1,4,7,11-tetraazacyclotetradecane)chromium(III) chloride 、 ammonium chloride 以 H₂O 为溶剂， 以75%的产率得到[Cr(1,4,7,11-tetraazacyclotetradecane)Cl2]PF6
  参考文献：
  名称：

  A convenient synthesis of isocyclam and [16]aneN4 and the photophysics of their dicyanochromium(III) complexes

  摘要：

  The syntheses of the tetraazamacrocyclic ligands 1,4,7,11-tetraazacyclotetradecane (isocyclam) and 1,5,9,13-tetraazacyclohexadecane ([16]aneN(4)) in two steps starting from the corresponding tetraamine and diethylmalonate is reported. The trans-dicyanochromium(III) complexes, trans-[Cr(isocyclam)(CN)(2)]PF6 and trans-[Cr([16]aneN(4))(CN)(2)]PF6 have also been prepared. Both are E-2(g) emitters with 0-0 band emission wavelengths at 721.2 and 704.8 nm, respectively. The isocyclam complex has a room temperature excited state lifetime of 147 mu s in aqueous solution which increases to 215 mu s upon macrocyclic N-H deuteration, whereas the corresponding lifetime of the [16]aneN4 complex is 25 mu s and is unaffected by macrocyclic N-H deuteration. The implications of the temperature dependence of the excited state lifetimes are also presented. (C) 2009 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2009.09.020