[nickel(II)(2,4,4-trimethyl-1,5,9-triazacyclododec-1-ene)(2,3,4,5,6-F5Bz)(H2O)](PF6) | 935537-94-3

• 英文名称: [nickel(II)(2,4,4-trimethyl-1,5,9-triazacyclododec-1-ene)(2,3,4,5,6-F5Bz)(H2O)](PF6)
• CAS: 935537-94-3
• 化学式: C₁₉H₂₇F₅N₃NiO₃*F₆P
• 分子量: 644.088
• InChiKey: FMVOBFAILDZCDB-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  [bis(2,4,4-trimethyl-1,5,9-triazacyclododec-1-ene)bis(μ-hydroxo)dinickel(II)] hexafluorophosphate 、 2,3,4,5,6-五氟苯甲酸 、 水 以 丙酮 为溶剂， 以72%的产率得到[nickel(II)(2,4,4-trimethyl-1,5,9-triazacyclododec-1-ene)(2,3,4,5,6-F5Bz)(H2O)](PF6)
  参考文献：
  名称：

  Preparation, crystal structures and NMR characterization of substituted-benzoate complexes Nickel(II)-N3-macrocycles

  摘要：

  Substituted-benzoate complexes of nickel(II) of the types bidentate [Ni(mcN(3))(Bz]PF6) and monodentate [Ni(mcN(3))Bz) (H2O)](PF6) have been prepared by acid-base reaction between the hydroxo complexes [Ni(mcN(3))(mu-OH)](2)(PF6)(2) (mcN(3) = 2,4,4-trimethyl-1,5,9-triazacyclododec-1-ene (Me-3-mcN(3)) or its 9-methyl derivative (Me-4-mcN(3))) and the corresponding benzoic acid. The paramagnetic nickel(II) complexes have been characterized in solution by NMR spectroscopy. The influence of the substituents on the hyperfine shift patterns for substituted-benzoate complexes of nickel(II) has been studied. The substituent effects upon the coordination mode of substituted benzoates have been established by X-ray diffraction. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2006.09.068