[Cu(3-CF3-pySe)] | 1147080-77-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: [Cu(3-CF3-pySe)]
• CAS: 1147080-77-0
• 化学式: C₆H₃F₃NSe*Cu
• 分子量: 288.598
• InChiKey: XVXTXXFGDUMUFR-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  0.89
• 重原子数：
  12.0
• 可旋转键数：
  0.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  12.89
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为产物：
  描述：

  2,2'-bis(3-trifluoromethylpyridyl)diselenide 、 铜 以 乙腈 为溶剂， 生成 [Cu(3-CF3-pySe)]
  参考文献：
  名称：

  Synthesis and X-ray Structures of a Series of Heteroleptic Selenites of Copper

  摘要：

  The reactions of [Cu(R-pySe)], R = H, 3-CF3, With 2,2'-bipyridine or 1,10-phenanthroline in acetonitrile yielded the one-dimensional complexes {[Cu(SeO3)(phen)] center dot 2(H2O)}(n), 1, {[Cu(SeO3)(bipy)]center dot 2(H2O)}(n), 2. Recrystallization of 1 and 2 from a 1:1 methanol/water mixture led to the formation of the dinuclear complexes [Cu(SeO3)(phen)(H2O)](2), 3, and [Cu(SeO3)(bipy)(H2O)](2), 4. Single crystal X-ray diffraction analysis revealed that 1 and 2 have a polymeric structure in which each oxygen atom of the selenite group coordinates to a copper atom. The two other coordination positions are occupied by two nitrogen atoms of the organic ligand, and this defines an almost square pyramidal geometry around the metal. Both compounds show a very weak antiferromagnetic coupling (J = -0.9 for I and -0.6 cm(-1) for 2). Compounds 3 and 4 consist of dinuclear species with the copper atoms lying in a square pyramidal geometry in which the selenite group acts as a bridge between two copper atoms and one oxygen atom is uncoordinated. The two copper ions in 3 show antiferromagnetic coupling with J = -22.1 cm(-1).

  DOI：

  10.1021/ic8019099

文献信息

• Synthesis and characterization of copper(I) and silver(I) complexes with heterocyclic bidentate ligands (N, X), X=S, Se
  作者：Antonio Sousa-Pedrares、María Luz Durán-Carril、Jaime Romero、J. Arturo García-Vázquez、Antonio Sousa

  DOI：10.1016/j.ica.2009.08.012

  日期：2010.4

  Abstract The synthesis and structural characterization of series of copper and silver homoleptic complexes [M(R-pyX)], M = Cu, Ag, X = S, Se; R = H, 3-CF3, 5-CF3 (not all combinations), is described. The copper compounds, as well as [Ag(pySe)] and [Ag(3-CF3-pySe)], were synthesised by electrochemical oxidation of anodic metal in a cell containing an acetonitrile solution of the corresponding proligand

  摘要一系列铜和银均质配合物[M（R-pyX）]的合成与结构表征，M = Cu，Ag，X = S，Se; 描述了R ＝ H，3-CF 3，5-CF 3（不是所有组合）。铜化合物以及[Ag（pySe）]和[Ag（3-CF3-pySe）]是通过在包含相应配体的乙腈溶液的电池中通过阳极金属的电化学氧化来合成的。通过AgNO 3与相应配体的盐在甲醇中的直接反应获得了其他均银络合物。另外，金属硫醇盐化合物与双（二苯基膦基）乙烷（dppe）在丙酮中的反应允许合成杂合化合物[M2（R-pyX）2（dppe）3]。所获得的化合物已通过微量分析，红外光谱和质谱进行了表征，如果络合物足够可溶，则通过1 H NMR光谱分析。配体（3- pySe）2（1），（5- -pySe）2（2）和（5- -pySe-DMF）（3）和配合物[Cu（3- -pyS）]（ 4），以结晶产物形式获得[Ag（3-