[Re(III)(tert-butyl isocyanide)(2,2'-bipyridine)2Cl2]PF6 | 181264-48-2

• 英文名称: [Re(III)(tert-butyl isocyanide)(2,2'-bipyridine)2Cl2]PF6
• CAS: 181264-48-2
• 化学式: C₂₅H₂₅Cl₂N₅Re*F₆P
• 分子量: 797.584
• InChiKey: KMXBPUMOWKVSCF-UHFFFAOYSA-L

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：
  None
• 氢给体数：
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• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  [Re(III)(tert-butyl isocyanide)(2,2'-bipyridine)2Cl2]PF6 、 异氰酸叔丁酯 在 Zn amalgam 作用下， 以 甲醇 为溶剂， 以51%的产率得到cis-[Re(I)(2,2'-bipyridine)2(tert-butyl isocyanide)2]PF₆
  参考文献：
  名称：

  Coordination Chemistry of Low-Valent Rhenium Polypyridyl Complexes:  Synthesis, Reactivity, and Electrochemistry

  摘要：

  The complex Re-III(benzil)(PPh(3))Cl-3 (2) is used to synthesize a variety of Re-III and Re-II polypyridyl complexes of the type cis-[Re-III(L(2))(2)Cl-2](+), [Re-II(L(2))(3)](2+), Re-III(L(3))Cl-3, [Re-III(L(3))(2)Cl](2+), and [Re-III(L(4))Cl-2](+), where L(2) = bpy (3 and 6), tbpy (4 and 7), phen (5 and 8): L(3) = terpy (9 and 10); L(4) = TMPA (11). The complex cis-[Re-III(bpy)(2)-Cl-2](+) (3) is a useful synthon in the formation of complexes of the type [Re(bpy)(2)L(x)](n+) that are six- or seven-coordinate Re-III complexes (13, 16, and 18) or octahedral Re-II or Re-I complexes (12 and 17). The [Re-III(terpy)(2)Cl](2+) (10) complex can be reduced to form the Re-I complex, [Re-I(terpy)(2)L](+) (21) and then electrochemically reoxidized to form new complexes of the type [Re-III(terpy)(2)L](n+). Similar behavior is observed for the [Re-II(bpy)(3)](2+) (6) complex where [Re-III(bpy)(3)((t)BuNC)](3+) (20) and [Re-I(bpy)(3)](+) (19) may be formed. The electrochemistry of these complexes is discussed in relation to their reactivity and the observed pi-acidity of the polypyridyl ligands. In addition, X-ray crystal structures for cis-[Re-III(bpy)(2)Cl-2]PF6 (3) and [Re-I(bpy)(3)]PF6 (19) are reported. cis-[Re-III(bpy)(2)Cl-2]PF6 (3, ReC20H16N4Cl2F6P) crystallizes in the monoclinic space group C2/c with Z = 4 and lattice parameters a = 15.043(5) Angstrom, b = 13.261(4) Angstrom, c = 12.440(4) Angstrom, and beta = 108.86(2)degrees at -100 degrees C. [Re-I(bpy)(3)]-PF6 (19, ReC30H24N6F6P) crystallizes in the rhombohedral space group R(3) over barc$ (h) (No. 167) with Z = 12 and lattice parameters a = 13.793(3) Angstrom and c = 51.44(3) Angstrom at -100 degrees C.

  DOI：

  10.1021/ic960001l
• 作为产物：
  描述：

  cis-[Re(III)(2,2'-bipyridine)2Cl2]PF6 、 异氰酸叔丁酯 以 乙二醇二甲醚 、 N,N-二甲基乙酰胺 为溶剂， 以79%的产率得到[Re(III)(tert-butyl isocyanide)(2,2'-bipyridine)2Cl2]PF6
  参考文献：
  名称：

  Coordination Chemistry of Low-Valent Rhenium Polypyridyl Complexes:  Synthesis, Reactivity, and Electrochemistry

  摘要：

  The complex Re-III(benzil)(PPh(3))Cl-3 (2) is used to synthesize a variety of Re-III and Re-II polypyridyl complexes of the type cis-[Re-III(L(2))(2)Cl-2](+), [Re-II(L(2))(3)](2+), Re-III(L(3))Cl-3, [Re-III(L(3))(2)Cl](2+), and [Re-III(L(4))Cl-2](+), where L(2) = bpy (3 and 6), tbpy (4 and 7), phen (5 and 8): L(3) = terpy (9 and 10); L(4) = TMPA (11). The complex cis-[Re-III(bpy)(2)-Cl-2](+) (3) is a useful synthon in the formation of complexes of the type [Re(bpy)(2)L(x)](n+) that are six- or seven-coordinate Re-III complexes (13, 16, and 18) or octahedral Re-II or Re-I complexes (12 and 17). The [Re-III(terpy)(2)Cl](2+) (10) complex can be reduced to form the Re-I complex, [Re-I(terpy)(2)L](+) (21) and then electrochemically reoxidized to form new complexes of the type [Re-III(terpy)(2)L](n+). Similar behavior is observed for the [Re-II(bpy)(3)](2+) (6) complex where [Re-III(bpy)(3)((t)BuNC)](3+) (20) and [Re-I(bpy)(3)](+) (19) may be formed. The electrochemistry of these complexes is discussed in relation to their reactivity and the observed pi-acidity of the polypyridyl ligands. In addition, X-ray crystal structures for cis-[Re-III(bpy)(2)Cl-2]PF6 (3) and [Re-I(bpy)(3)]PF6 (19) are reported. cis-[Re-III(bpy)(2)Cl-2]PF6 (3, ReC20H16N4Cl2F6P) crystallizes in the monoclinic space group C2/c with Z = 4 and lattice parameters a = 15.043(5) Angstrom, b = 13.261(4) Angstrom, c = 12.440(4) Angstrom, and beta = 108.86(2)degrees at -100 degrees C. [Re-I(bpy)(3)]-PF6 (19, ReC30H24N6F6P) crystallizes in the rhombohedral space group R(3) over barc$ (h) (No. 167) with Z = 12 and lattice parameters a = 13.793(3) Angstrom and c = 51.44(3) Angstrom at -100 degrees C.

  DOI：

  10.1021/ic960001l