copper(II) 4-chlorobenzoate

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: copper(II) 4-chlorobenzoate
• 英文别名: Kupfer(II)-p-chlorobenzoat；copper(II)(p-chlorobenzoate)2；Cu(4-chlorobenzoate)2；copper;4-chlorobenzoate
• 化学式: 2C₇H₄ClO₂*Cu
• 分子量: 374.667
• InChiKey: HYPOTFRUCZDVFU-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  11.0
• 可旋转键数：
  1.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  40.13
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  copper(II) 4-chlorobenzoate 、 2,6-二甲基哌啶 以 乙醚 为溶剂， 以70%的产率得到[Cu(4-chlorobenzoate)2(2,6-dimethylpiperidine)]
  参考文献：
  名称：

  Manhas; Kalia; Sardana, Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical and Analytical, 2005, vol. 44, # 8, p. 1576 - 1581

  摘要：

  DOI：
• 作为产物：
  描述：

  copper(ll) sulfate pentahydrate 、 对氯苯甲酸 在 sodium hydroxide 作用下， 以 水 为溶剂， 生成 copper(II) 4-chlorobenzoate
  参考文献：
  名称：

  三元铜 (II) 络合物的合成、表征、X 射线结构测定和堆积分析：[Cu(2-苯氧基乙酸/4-氯苯甲酸酯)2(TEMED)]

  摘要：

  摘要 通过加入temed (N,N)合成了两种新的三元铜(II)配合物[Cu(2- phenoxyacetate ) 2 (temed)] ( 1 ) 和[Cu(4-chlorobenzoate) 2 (temed)] ( 2 ) ,N',N'-四甲基乙二胺) 到 Cu(II) 2-苯氧基乙酸盐/4-氯苯甲酸盐在水:甲醇 (1:4, V / V ) 混合物中。新合成的配合物的特征在于元素分析、光谱技术（UV-Vis、FTIR）、磁矩、摩尔电导和单晶 X 射线衍射。在这两种晶体，不对称单元包括中性复合物，其中中心金属原子位于一个滑移面中的一半的1和上一双重在轴线2. 两种三元配合物都是中性的，由六个协调的 CuN 2 O 4生色团组成。在这两种配合物中，Cu(II) 金属中心由螯合的两个氮原子和来自两个二齿 2-苯氧基乙酸盐/4-氯苯甲酸盐配体的四个氧原子配位。复合物1和2 的详细堆积分析表明，C–H…π

  DOI：

  10.1134/s0022476621090080

文献信息

• Kumar, N.; Kalsotra, B. L.; Sachar, Renu, Journal of the Indian Chemical Society, 1983, vol. 60, p. 715 - 717
  作者：Kumar, N.、Kalsotra, B. L.、Sachar, Renu

  DOI：——

  日期：——
• Manhas; Kalia; Sardana, Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical and Analytical, 2007, vol. 46, # 8, p. 1226 - 1232
  作者：Manhas、Kalia、Sardana、Lumba

  DOI：——

  日期：——
• Structural Flexibilities and Gas Adsorption Properties of One-Dimensional Copper(II) Polymers with Paddle-Wheel Units by Modification of Benzoate Ligands
  作者：Kiyonori Takahashi、Norihisa Hoshino、Takashi Takeda、Shin-ichiro Noro、Takayoshi Nakamura、Sadamu Takeda、Tomoyuki Akutagawa

  DOI：10.1021/acs.inorgchem.5b01168

  日期：2015.10.5

  CO2 and N-2 gas adsorption/desorption properties of one-dimensional copper(II) polymers with paddle-wheel units [Cu-2(II)(p-XBA)(4)(pyrazine)(infinity) were successfully controlled through the tuning of interchain interactions by modification of para-substituent X groups on the benzoate (BA) ligands (X = Cl, Br, I, and OCH3). Although none of the four crystals had sufficient void space to integrate the crystallization solvents, gate-opening gas adsorption and desorption behaviors coupled with structural phase transitions were observed for CO2 (T = 195 K) and N-2 (T = 77 K), with differences depending on the precise substituent. van der Waals interchain interactions, specifically pi center dot center dot center dot pi, halogen center dot center dot center dot pi, and C-H center dot center dot center dot pi contacts, were dominant in forming the crystal lattice; their magnitude was associated with gate-opening pressure and hysteresis behaviors. Both the type and magnitude of the interactions were evaluated by Hirshfeld surface analysis, which indicated that structural flexibility decreased as larger halogen atoms were included. Overall, weak interchain interaction and structural flexibility generated new void spaces to adsorb CO2 and N-2 gases.
• Turpeinen, U.; Haemaelaeinen, R., Zeitschrift für Kristallographie
  作者：Turpeinen, U.、Haemaelaeinen, R.

  DOI：——

  日期：——
• Manhas; Kalia; Sardana, Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical and Analytical, 2005, vol. 44, # 8, p. 1576 - 1581
  作者：Manhas、Kalia、Sardana、Kaushal

  DOI：——

  日期：——