[fac-Re(CO)3(2,2'-bipyridine)(4-aminophenyl-4'-pyridylacetylene)][PF6] | 179804-32-1

• 英文名称: [fac-Re(CO)3(2,2'-bipyridine)(4-aminophenyl-4'-pyridylacetylene)][PF6]
• CAS: 179804-32-1
• 化学式: C₂₆H₁₈N₄O₃Re*F₆P
• 分子量: 765.625
• InChiKey: ZZPIZHUBFGHOKE-UHFFFAOYSA-N

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

• 作为产物：
  描述：

  fac-{Re(2,2'-bipyridine)(CO)3(acetonitrile)}PF6 、 (4-aminophenyl)-4'-pyridylacetylene 以 四氢呋喃 为溶剂， 以50%的产率得到[fac-Re(CO)3(2,2'-bipyridine)(4-aminophenyl-4'-pyridylacetylene)][PF6]
  参考文献：
  名称：

  Rhenium carbonyls containing pyridyl ligands incorporating an alkyne entity

  摘要：

  Reactions of pyridyl ligands, 4,4'-dipyridylbutadiyne (DPB), 1,4-bis(4'-pyridylethynyl)benzene (BPEB), ferrocenyl-4-pyridylacetylene (FPA), 4-nitrophenyl-4'-pyridylacetylene (NPPA) and 4-aminophenyl-4'-pyridylacetylene (APPA), with Re(CO)(5)X (X = Cl,Br), cis-Re(CO)(4)(L)Cl (L = PPh(3), P(OMe)(3)), and [Re(CO)(3)(2,2'-bipy)(MeCN)][PF6], provides fac-Re(CO)(3)(eta(1)-DPB)(2)Cl (1), fac-Re(CO)(3)(PY)(2)Br (2, PY = FPA; 3, L = NPPA; 4, L = APPA), [fac-Re(CO)(3)(PPh(3))Cl](2)(mu-PY) (5, PY = BPEB; 6, PY = DPB), [fac-Re(CO)(3)(P(OMe)(3))Cl](2)(mu-DPB) (7), fac-Re(CO)(3)(PPh(3))(PY)Cl (8, PY = NPPA; 9, PY = FPA), [fac-Re(CO)(3)(2,2'-bipy)(PY)][PF6] (10, PY = NPPA; 11, PY = APPA; 12, PY = FPA), and [(fac-Re(CO)(3)(2,2'-bipy)}(2)(mu-PY)][PF6](2) (13, PY = DPB; 14, PY = BPEB). The energy of the metal to pyridyl pi* charge-transfer (MLCT) is investigated by electronic absorption spectra and cyclic voltammetry, X-ray structural analyses for 2 . CH2Cl2 and 12 . 2H(2)O were carried out. 2 . CH2Cl2:C12H28BrClN2O3P2Fe2Re; monoclinic; P2(1)/n, Z = 4; a = 15.188(2), b = 15.100(2), c = 16.254(1) Angstrom; beta = 102.22(1)degrees; R = 0.047; Rw = 0.040. 12 . 2H(2)O: C30H21F6N3O3PFeRe; monoclinic; P2(1)/n, Z = 4; a = 19.022(4), b = 9.339(2), c = 21.111(3) Angstrom; beta = 116.156(9)degrees; R = 0.043; Rw = 0.061.

  DOI：

  10.1016/0022-328x(96)06167-0