[Cd(bpbp)Cl₂] | 1402395-38-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: [Cd(bpbp)Cl₂]
• CAS: 1402395-38-3
• 化学式: C₃₁H₂₁CdCl₂N₅
• 分子量: 646.857
• InChiKey: NLQSYBUGYWAZJF-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
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• 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：

  2,2'-(2,6-吡啶二基)双[1-苯基-1H-苯并咪唑] 、 cadmium(II) chloride 反应 0.5h， 以76%的产率得到[Cd(bpbp)Cl₂]
  参考文献：
  名称：

  Syntheses, crystal structure and luminescent properties of cadmium complexes based on 2,6-bis(1-phenylbenzimidazol-2-yl)pyridine

  摘要：

  Two cadmium complexes, Cd(bpbp)Cl-2 (complex 1) and [Cd(bpbp)(2)](ClO4)(2) (complex 2), based on 2,6-bis(1-phenylbenzimidazol-2-yl)pyridine (bpbp), were synthesized and characterized by X-ray single crystal structure analyses. For complex 1: crystal system, monoclinic, space group, C2/c, a = 27.427(3) angstrom, b = 13.4495(15) angstrom, c = 14.8381(17) angstrom, beta = 106.635(2)degrees, V = 5244.4(10) angstrom(3), Z = 8. It is a neutral complex. The Cd(II) ion distorted trigonal bipyramidal geometry is five-coordinated by three nitrogen atoms from ligand (bpbp) and two chlorine ions. For complex 2: crystal system, triclinic, space group, P-1, a = 13.4791(15) angstrom, b = 13.8506(16) angstrom, c = 16.5839(19) angstrom, alpha = 94.202(2)degrees, beta = 106.948(2)degrees, beta = 94.872(2)degrees, V = 2935.3(6) angstrom(3), Z = 2. It is an ionic complex. The Cd(II) ion octahedral geometry is six-coordinated by six nitrogen atoms from two ligand (bpbp). Both complexes emit blue luminescence with emission peaks at 420 and 430 nm in solid state and with emission peaks at 415 and 425 nm in DMF solution. In complex 1 absorption spectra, there is not only the free ligand absorption peak at 310 nm, but also shows strong Cd-Cl charge transfer peak at 350 nm in DMF solution. (C) 2012 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2012.06.039