{Hg(1,4,7-trimethyl-1,4,7-triazacyclononane)Cl}PF6 | 135624-47-4

• 分子结构分类: 有机化合物
• 英文名称: {Hg(1,4,7-trimethyl-1,4,7-triazacyclononane)Cl}PF6
• CAS: 135624-47-4
• 化学式: C₉H₂₁ClHgN₃*F₆P
• 分子量: 552.293
• InChiKey: VOUZDXTXOIGFEW-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：

  sodium hexaflorophosphate 、 1,4,7-三甲基-1,4,7-三氮杂环壬烷 、 mercury dichloride 以 水 为溶剂， 以90%的产率得到{Hg(1,4,7-trimethyl-1,4,7-triazacyclononane)Cl}PF6
  参考文献：
  名称：

  Co-ordination chemistry of 1,4,7-triazacyclononane (L) and its N-methylated derivative (L′) with silver(I) and mercury(II). The crystal structures of [AgL′₂]PF₆and [AgL′(SCN)]

  摘要：

  Reaction of AgPF6 in acetonitrile with an equimolar amount of the macrocycle 1,4,7-triazacyclononane (L) and addition of [NBu4]X (X = Cl, Br, I or CN) affords colourless to yellow precipitates of [AgL(X)]. The complexes [AgL'(X)] (X = SCN or CN) (L' = 1,4,7-trimethyl-1,4,7-triazacyclononane) have been prepared similarly. When the ligand to AgPF6 ratio was 2:1 in ethanolic solution, colourless crystals of [AgL2]PF6 and [AgL'2]PF6 were obtained, respectively. A binuclear species [LAg(mu-CN)AgL]PF6 has been obtained from a solution of AgPF6 and L (1:1) in pyridine upon addition of NaCN (0.5 equivalent). Mercury(II) chloride reacts in water with L (1:2) and addition of NaPF6 to yield [HgL2][PF6]2; with L' the complex [HgL'(Cl)]PF6 was obtained. Crystals of [AgL'2]PF6 are tetragonal, space group P4(2)/m (no. 84), with a = 10.134(1), c = 12.771(2) angstrom, and Z = 2. Crystals of [AgL'(SCN)] are orthorhombic, space group Pcmn (no. 62), with a = 9.497(5), b = 11.837(8), c = 26.00(1) angstrom and Z = 8.

  DOI：

  10.1039/dt9910001487