copper(II) 2,2'-((propane-1,3-diylbis(azaneylylidene))bis(ethan-1-yl-1-ylidene))diphenolate | 21590-59-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: copper(II) 2,2'-((propane-1,3-diylbis(azaneylylidene))bis(ethan-1-yl-1-ylidene))diphenolate
• CAS: 21590-59-0
• 化学式: C₁₉H₂₀N₂O₂*Cu
• 分子量: 371.926
• InChiKey: YHPIMIDZFGHELQ-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  2.54
• 重原子数：
  24.0
• 可旋转键数：
  6.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  70.84
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  [((N,N'-bis(α-methylsalicylidene)-1,3-propanediamine(-2H))Cu)2HgCl2] 以 乙腈 为溶剂， 生成 [Cu(N,N'-bis(α-methylsalicylidene)-1,3-propanediamine(2-))] 、 copper(II) 2,2'-((propane-1,3-diylbis(azaneylylidene))bis(ethan-1-yl-1-ylidene))diphenolate 、 mercury dichloride
  参考文献：
  名称：

  萨伦型配体衍生的铜（II）-汞（II）杂金属配合物：旧席夫碱配体的新配位模式

  摘要：

  三异金属铜（II）-mercury（II）络合物，[（CUL-CH 3）的HgCl 2 ]（1），[（CUL-CH 3）2的HgCl 2 ]（2），和[（CUL-CH 2 - HgCl）2 ]（3），通过改变反应物的反应条件和化学计量，使“作为配体的配合物” [CuL-CH 3 ]与HgCl 2反应合成，其中H 2 L-CH 3＝ 1，3-丙二胺和2-羟基苯乙酮的二席夫碱。所有这三种配合物均已通过X射线单晶结构，元素分析和光谱分析进行了表征。在络合物1中，Hg（II）离子通过[CuL-CH 3 ]部分的两个苯氧基氧原子和两个末端氯离子键合而形成双核物质。在三核络合物2中，中心Hg（II）离子通过两个末端[CuL-CH 3 ]单元通过一个苯氧氧从每个单元和两个氯离子配位。另一方面，在四核配合物3中，Hg（II）离子具有扭曲的四面体几何形状，与一个氯化物结合，一个[CuL–CH 2]单元，以及另一个[CuL–CH

  DOI：

  10.1021/om201033q

文献信息

• Copper(II) and Nickel(II) Complexes of Dianionic and Tetraanionic Dinucleating Macrocycles
  作者：Kausik K. Nanda、Anthony W. Addison、Neil Paterson、Ekkehard Sinn、Laurence K. Thompson、Ushio Sakaguchi

  DOI：10.1021/ic9712434

  日期：1998.3.9

  With nickel(II) or copper(II) acetate, 2,6-bis(acetoximato)-4-methylphenol (H(2)Damox) and 2,6-bis(acetoximato)4-tert-butylphenol (H(2)Dabox) afford molecular dinuclear complexes [Cu-2(Damox)(2)] (1), [Ni-2(Damox)(2)]MeOH)(2)]. MeOH (2), [Cu-2(Dabox)(2)] (5) and [Ni-2(Dabox)(2)(H2O)(2)] (6). Salts of the macrocyclic tetraimine copper chelates from diacetylcresol with 1,3-diaminopropane and 1,4-diaminobutane, [Cu-2(Dampn)](2+) and [Cu-2(Dambn)](2+), were also examined. Pyridine solutions of 2 yielded pink crystals of [Ni-2(Damox)(2)(Py)(4)].(Py)(2) (3a), which effloresce pyridine to form [Ni-2(Damox)(2)(Py)(2)]. Py (3). The pseudomacrocyclic complexes 1, 5, and 6 react with BF3 . Et2O to form BF2-bridged macrocyclic complexes [Cu-2(Damfb)] (4), [Cu-2(Dabfb)]. H2O (7), and [Ni-2(Dabfb)] (8). Crystals of [Ni-2(Damox)(2)(Py)(4)].(Py)(2) (3a) are monoclinic (space group P2(1)/n), with a = 13.297(5) Angstrom, b = 11.240(5) Angstrom, c = 17.396(6) Angstrom, beta = 109.03 degrees, V = 2458(3) Angstrom(3), Z = 2, R = 0.050, and R-w = 0.052. The [Ni-2(Dabfb] (8) crystals an orthorhombic (space group Pnma), with a = 11.558(6) Angstrom, b = 17.200(5) Angstrom, c = 16.058(2) Angstrom, V = 3192(3) Angstrom(3), Z = 4, R = 0.057, and R-w = 0.057. The saddle-shaped molecules of 8 contain low-spin Ni(II). The copper(II) centers in 1, 5, 6, etc., are strongly antiferromagnetically coupled with -2J values in the range 550-800 cm(-1). The nickel(II) centers in 2 and 3 are weakly (-2J = 3.2 cm(-1)) or moderately (-2J = 19.5 cm(-1)) antiferromagnetically coupled, whereas 6 shows a moderate ferromagnetic interaction with -2J = -5.1 cm(-1), All the complexes are electrochemically reducible in two 1-electron steps. In CH3CN, the mixed-valence complexes [Cu-2(Dampn)](+) and [Cu-2(Dambn)](+) are valence-localized. The nature of the carbon monoxide interactions with the M(I) centers is dearest for [Cu-2(Dambn)](+/0), which in dimethylformamide solution binds two molecules of CO in a cooperative fashion.