[Cd(saccharinate)2(H2O)2(4-methylimidazole)2] | 1436865-39-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 英文名称: [Cd(saccharinate)2(H2O)2(4-methylimidazole)2]
• 英文别名: [Cd(saccharinate)₂(H₂O)₂(4-methylimidazole)₂]；[Cd(sac)₂(H₂O)₂(meim)₂]
• CAS: 1436865-39-2
• 化学式: C₂₂H₂₄CdN₆O₈S₂
• 分子量: 677.01
• InChiKey: OJKVIDAJFNUVNW-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：

  4-甲基咪唑 、 tetraaquabis(saccharinato-N)cadmium(II) dihydrate 以 水 为溶剂， 生成 [Cd(saccharinate)2(H2O)2(4-methylimidazole)2]
  参考文献：
  名称：

  Synthesis, crystal structure, spectroscopic, fluorescent, thermal properties and EPR spectra of doped Cu2+ ions in [Cd(sac)2(H2O)2(meim)2] single crystal

  摘要：

  The crystal structures of the six-coordinate complexes [Cd(sac)(2)(H2O)(2)(meim)(2)] (complex 1) formed by reaction of 4-methylimidazole(meim) with [Cd(sac)(2)(H2O)(4)]center dot 2H(2)O (saccharinate = sac), was synthesized and characterized by elemental analysis, infrared (IR) and electron paramagnetic resonance (EPR) spectroscopy, thermal analysis and X-ray single crystal diffraction. X-ray diffraction analysis revealed that complex 1 crystallized in the monoclinic crystal system with space group P2(1)/c. The Cd(II) center was six-coordinated with four nitrogen atoms from two sac and two 4-meim ligands, two oxygen atoms from two aqua ligands. Spectral and thermal analysis data for complex 1 was in agreement with the crystal structures. In addition complex 1 displayed blue fluorescent emission in the solid state at room temperature. Single crystal EPR spectra at room temperature are resolved and have exhibited that two different Cu2+ complexes were located in different chemical environments which contained two magnetically non-equivalent Cu2+ sites. In low temperature EPR spectra down to 110 degrees C did show no considerable change. At higher temperatures, however, both thermo gravimetric analyses (TGA) and EPR spectra showed detectable changes around 140 degrees C; the causes and the mechanisms of changes are discussed. (C) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2013.02.013