[Cu(1,10-phenanthroline)2Br][PF6] | 199582-48-4

• 英文名称: [Cu(1,10-phenanthroline)2Br][PF6]
• 英文别名: [(1,10-phenanthroline)₂CuBr](PF₆)
• CAS: 199582-48-4
• 化学式: C₂₄H₁₆BrCuN₄*F₆P
• 分子量: 648.832
• InChiKey: OBCKKDTWGXGREK-UHFFFAOYSA-M

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：

  六氟磷酸钾 、 1,10-菲罗啉 、 copper(ll) bromide 以 乙醇 、 水 为溶剂， 反应 3.0h， 生成 [Cu(1,10-phenanthroline)2Br][PF6]
  参考文献：
  名称：

  Copper complexes with 1,10-phenanthrolines as efficient catalysts for oxidation of alkanes by hydrogen peroxide

  摘要：

  The Copper complexes with 1,10-phenanthrolines and 1,10- phenanthrolines-5,6-diones were synthesized and characterized by elemental analysis and spectra. One complex was characterized by X-ray analysis. The complexes turned out to be active in oxidations of cyclic, branched and linear alkanes. Hydrogen peroxide (50%) was used as an oxidant. The reactions were carried out in solvent acetonitrile at relatively the low temperatures (40-60 degrees C). Alkyl hydroperoxides are the primary products which partly decompose in the course of the reaction to produce mainly ketones (aldehydes) and alcohols. Treating the reaction mixture with PPh3 leads to the transformation of alkyl hydroperoxides (ROOH) to corresponding alcohols (ROH).

  DOI：

  10.1016/j.ica.2020.119889

文献信息

• Comparative Crystallography. 5. Crystal Structures, Electronic Properties, and Structural Pathways of Five [Cu(phen)₂Br][Y] Complexes, Y = [Br]^-·H₂O, [ClO₄]^-, [NO₃]^-·H₂O, [PF₆]^-, and [BPh₄]^-
  作者：Gillian Murphy、Cathal O'Sullivan、Brian Murphy、Brian Hathaway

  DOI：10.1021/ic970458a

  日期：1998.1.1

  The crystal structures of [Cu(phen)(2)Br][Br]. H2O (1, phen = 1,10-phenanthroline), [Cu(phen)(2)Br][ClO4] (2), [Cu(phen)(2)Br][NO3]. H2O (3), [Cu(phen)(2)Br][PF6] (4), and [Cu(phen)(2)Br][BPh4] (5) have been determined by X-ray diffraction. Four of the complexes, 1-4, have a CuN4Br chromophore with a square based pyramidal distorted trigonal bipyramidal (SBPDTB) stereochemistry, while 5 involves an extreme trigonal bipyramidal distorted square based pyramidal (TBDSBP) stereochemistry. The geometries of the CuN4Br chromophores in 1-5 are compared by scatter plot analysis with a single [Cu(phen)(2)Br][ClO4] complex, 6, of known crystal structure involving a crystallographic 2-fold axis of symmetry. The distortion isomers of 2 and 6 are significantly different. The scatter plots of the six cation distortion isomers of the [Cu(phen)(2)Br][Y] series of complexes suggest that all six complexes lie on a common structural pathway, involving a mixture of the symmetric, v(sym), C-2 mode and the asymmetric, v(asym), non-C-2 mode of vibration of the CuN4Br chromophore. The resulting linear and parallel structural pathways are consistent with the direct observation of the effect of vibronic coupling on the stereochemistries of the complexes, which can range from near regular trigonal bipyramidal (RTB) to TBDSBP for the cation distortion isomers of the [Cu(phen)(2)Br][Y] complexes.