[chloro diethylenetriamine copper(II)]chloride | 143562-96-3

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: [chloro diethylenetriamine copper(II)]chloride
• 英文别名: chloro(diethylenetriamine)copper(II) chloride；(diethylenetriamino)copper(II) chloride；N'-(2-aminoethyl)ethane-1,2-diamine;dichlorocopper
• CAS: 143562-96-3；22470-26-4；37072-97-2；738616-48-3
• 化学式: C₄H₁₃ClCuN₃*Cl
• 分子量: 237.619
• InChiKey: MSRRYPWKRCTBTR-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -0.13
• 重原子数：
  10
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  64.1
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  [chloro diethylenetriamine copper(II)]chloride 、 K₂[Fe^II(4,4'-di-tert-butyl-2,2'-bipyridine)(CN)₄] 以 甲醇 、 水 为溶剂， 以83.1%的产率得到[Fe^II(tBubpy)(CN)₄]-[Cu^II(dien)Cl]₂
  参考文献：
  名称：

  催化剂置换试验：超分子方法，用于设计智能潜伏催化剂，用于污染物的监测和去除

  摘要：

  通过使用目标分析物的置换方法分配传感阈值，可以将潜伏催化剂调整为智能功能。通过不同金属供体的超分子组装[Fe II（CN）6 ] 4−，[Fe II（t Bubpy）（CN）4 ] 2−和Fe，将三种氰基桥联的双金属配合物合成为“智能”潜伏催化剂。II（t Bubpy）2（CN）2和金属受体[Cu II（dien）] 2+。对它们与有毒污染物结合时的热力学和动力学性质的研究提供了对它们聪明的脱机催化能力的洞察力，从而使我们能够建立阈值控制的催化系统来降解诸如氰化物和草酸盐之类的污染物。使用这些智能潜在催化剂，展示了一种新的催化剂置换试验（CDA），并将其应用于实际废水处理过程中，以降解中国香港收集的生活（一级，未经处理）和工业废水样品中的氰化物污染物。对该智能系统进行了调整，使其能够在环境条件下以20μM（世界卫生组织建议的废水中氰化物的最大允许含量）的阈值浓度启动氰化物的催化氧化。

  DOI：

  10.1039/c6sc05584b
• 作为产物：
  描述：

  copper(II) choride dihydrate 、 二乙烯三胺 以 异丙醇 为溶剂， 生成 [chloro diethylenetriamine copper(II)]chloride
  参考文献：
  名称：

  Synthesis and IR spectroscopic characterisation of immobilised superoxide dismutase (SOD) mimicking complexes

  摘要：

  Cu(II) and a Cu(II)-Zn(II) complexes were immobilised on silica gel either by adsorption or covalent anchoring. The structure of the anchored complexes were studied by FT-IR spectroscopy and compared to those of the host-free complexes. It was found that most of the anchored complexes resembled the structure of the host-free ones irrespective of the method of immobilisation. The method of anchoring greatly influenced the flexibility as well as the surface mobility of the complexes mirrored in their superoxide dismutase activities. The complexes immobilised by adsorption had higher activities than the others. Among them the Cu(II)-Zn(II) complex was the most active. (c) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2004.10.074

文献信息

• Synthesis, Structural Characterization, and Density Functional Study of Homo‐ and Heteropolyhalide Complexes of Cu ^II with Dien and Dpta Ligands: Crystal Structure of [Bis(3‐aminopropyl)amine](bromo)(diiodobromo)copper( <scp>II</scp> )
  作者：Aikaterini T. Chaviara、Athanasios C. Tsipis、Philip J. Cox、Christos A. Bolos

  DOI：10.1002/ejic.200500146

  日期：2005.9

  calculations at the B3LYP level of theory provided a satisfactory description of the structures of all complexes, while the distorted square-pyramidal structure of a representative complex, namely [CuBr(dpta)(BrI2)], was further substantiated by a single-crystal X-ray diffraction study. In the square-pyramidal structure of [CuBr(dpta)(BrI2)], the basal plane of the pyramid involves three Cu–N contacts

  多卤化物单核 [CuX(L)(XY2)] 和双核 [CuX(L)}2(μ-XY2X)] CuII 配合物 [L = 二亚乙基三胺 (dien) 或二亚丙基三胺 (dpta); X = Cl, Br 和 Y = Br, I] 是通过用 Br2 或 I2 以 1:1 和 2:1 的摩尔比处理前体 [CuX2(L)] 络合物而获得的。新的同-和杂多卤化物 CuII 配合物，无论是单核还是双核，被预测为五坐标 CuII 配合物，表现出扭曲的方形锥体配置。B3LYP 理论水平的 DFT 计算提供了对所有配合物结构的令人满意的描述，而代表性配合物的扭曲方形锥体结构，即 [CuBr(dpta)(BrI2)]，通过单晶进一步证实X 射线衍射研究。在[CuBr(dpta)(BrI2)]的方形锥体结构中，金字塔的基面涉及来自 dpta 和 Br(1) 原子的三个 Cu-N 接触 [1.990(7)、2.065(7)
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: Cu: MVol.B1, 141, page 306 - 309
  作者：

  DOI：——

  日期：——
• Breckenridge, J. G., Canadian Journal of Research, Section B: Chemical Sciences, 1948, vol. 26, p. 11 - 19
  作者：Breckenridge, J. G.

  DOI：——

  日期：——
• Chloro(diethylenetriamine)copper(II) chloride: a disordered quasi-one-dimensional structure
  作者：Robin G. Pritchard、Majid Ali、Abdul Munim、Asma Uddin

  DOI：10.1107/s0108270106034305

  日期：2006.10.15

  The title structure, [CuCl(C4H13N3)]Cl, consists of alternating [CuCl(dien)](+) (dien is diethylene-triamine) and Cl- ions arranged in quasi-one-dimensional stacks along the crystallographic a axis and forming tetragonally elongated octa-hedral coordination shells around each Cu atom [equatorial Cu-Cl = 2.2552 (8) angstrom, and axial Cu-Cl = 2.831 (1) and 3.341 (1) angstrom]. Crystallographic mirror planes bisect each stack vertically through the Cu, Cl and central N atoms, and horizontally through the [CuCl(dien)](+) cation. The horizontal mirrors lead to each atom in the puckered [CuCl(dien)](+) cations being disordered over two crystallographically equivalent sites. Comparison of the title structure with its Br and I analogues shows a growing influence of hydrogen bonding relative to coordination bonds on traversing the series I < Br < Cl.
• Copper(II) PMDTA and copper(II) TMEDA complexes: precursors for the synthesis of dinuclear dicationic copper(II) complexes
  作者：Günter Margraf、Jan W. Bats、Matthias Wagner、Hans-Wolfram Lerner

  DOI：10.1016/j.ica.2004.11.002

  日期：2005.3

  Copper(II) cations coordinated with PMDTA (pentamethyldiethylenetriamine) and TMEDA (tetramethylethylenediamine) possess a high synthetic potential. The synthesis of these cations was carried out by metathesis reactions with silver salts. The cationic copper(II) complexes, [Cu(PMDTA)(MeCO)Cl](+), [Cu(PMDTA)(H2O)Cl](+), [Cu(PMDTA)(DMF)](+), [Cu(PMDTA)Cl](+), [Cu(PMDTA)OAc](+), [Cu(PMDTA)(MeCN)(2)](2+), [Cu-2(TMEDA)(2)Cl-3](+) and [Cu(TMEDA)(MeCN)(3)](2+) were synthesised as PF6 salts, crystallised and characterised by single-crystal X-ray diffraction. (c) 2004 Elsevier B.V. All rights reserved.