[Cu(NCO)(1,1,4,7,7-pentaethyldiethylenetriamine)](ClO4) | 223109-42-0

• 分子结构分类: 有机化合物 - 有机氧化合物 - 有机含氧阴离子化合物
• 英文名称: [Cu(NCO)(1,1,4,7,7-pentaethyldiethylenetriamine)](ClO4)
• 英文别名: copper;N'-[2-(diethylamino)ethyl]-N,N,N'-triethylethane-1,2-diamine;isocyanate;perchlorate
• CAS: 223109-42-0
• 化学式: C₁₅H₃₃CuN₄O*ClO₄
• 分子量: 448.45
• InChiKey: ZGVXWNNQRBMQJS-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 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：

  copper(II) perchlorate hexahydrate 、 N,N,N',N'',N''-pentaethyldiethylenetriamine 、 sodium isocyanate 以 水 为溶剂， 生成 [Cu(NCO)(1,1,4,7,7-pentaethyldiethylenetriamine)](ClO4)
  参考文献：
  名称：

  Versatility of the cyanato ligand: structure and magnetic properties of four new copper(II)–cyanato compounds derived from tridentate amines

  摘要：

  Four new copper(II) complexes, derived from the cyanato ligand and tridentate amines, with different nuclearity and different coordination modes, have been synthesized and their crystal structures determined by X-ray diffraction methods: [Cu(NCO)(Et(5)dien)](ClO4) (1), mononuclear, [Cu-2(mu(1,3)-NCO)(2)(EtMe(4)dien)(2)](ClO4)(2) (2), dinuclear, [Cu(mu-ClO4)(NCO)(ept)](n) (3), monodimensional, and [Cu-2(mu(1,1)-NCO)(2)(Medien)(2)](ClO4)(2) (4), dinuclear. Et(5)dien is 1,1,4,7,7-pentaethyldiethylenetriamine, EtMe(4)dien is 4-ethyl-1,1,7,7-tetramethyldiethylenetriamine, ept is N-(2-aminoethyl)-1,3-propanediamine and Medien is 4-methyldiethylenetriamine. Magnetic susceptibility data, measured from 2-300 K, show slight ferromagnetic coupling for the dinuclear end-to-end (mu(1,3)) compound 2, antiferromagnetic coupling for the dinuclear end-on (mu(1,1)) 4, and antiferromagnetic coupling for the mu-ClO4, monodimensional compound 3. These data were fitted to the appropriate equations derived from the Hamiltonian H = -JS(1)S(2) giving the parameters J = +0.5(2) cm(-1), g = 2.088(3) and J = -4.6(3) cm(-1), g = 2.099(13) for 2 and 4, respectively and J = -1.9(1) cm (-1), g = 2.121(7) for 3. (C) 1999 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0020-1693(98)00410-1