bis(2,9-dimethyl-1,10-phenanthroline)copper(I) calix[4]arenate | 645388-98-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: bis(2,9-dimethyl-1,10-phenanthroline)copper(I) calix[4]arenate
• CAS: 645388-98-3
• 化学式: C₂₈H₂₃O₄*C₂₈H₂₄CuN₄
• 分子量: 903.56
• InChiKey: UQOSOSCNOBOJDY-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：
  None

反应信息

• 作为产物：
  描述：

  新铜试剂 、 tetramethylammonium calix[4]arenate 、 copper(I) bromide 以 乙腈 为溶剂， 以80%的产率得到bis(2,9-dimethyl-1,10-phenanthroline)copper(I) calix[4]arenate
  参考文献：
  名称：

  Solid-State Structure Dependence of the Molecular Distortion and Spectroscopic Properties of the Cu(I) Bis(2,9-dimethyl-1,10-phenanthroline) Ion

  摘要：

  The relation between the geometry and spectroscopic properties of a series of salts of the Cu(I) bis(2,9-dimethyl-1,10-phenanthroline) ion, (Cu-(I)(dmp)(2))(+), is explored. The distortions from the idealized D-2d geometry, which include flattening, rocking of the dmp ligands, and displacement of the Cu atoms out of the dmp planes, show considerable variation, indicating the importance of packing forces in the crystalline environment. The change in the absorption spectra upon flattening of the complex, expressed as the variation of the angle between the dmp planes, which varies from 88degrees in the BF4 and tosylate salts to 73degrees in the picrate, agrees qualitatively with parallel DFT calculations. No correlation is found between ground state geometry and luminescence lifetimes, recorded both at room temperature and at 16 K. The low temperature lifetimes vary by a factor of 8 among the (Cu-(I)(dmp)(2))(+) salts examined, the longest lifetime (2.4 mus at 16 K) being observed for the tosylate salt.

  DOI：

  10.1021/ic0348805