trans-{Re(NPh)(Cl)(1,2-bis(diphenylphosphino)ethane)2}{PF6}2 | 139199-33-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: trans-{Re(NPh)(Cl)(1,2-bis(diphenylphosphino)ethane)2}{PF6}2
• 英文别名: trans-[Re(NPh)Cl(1,2-bis(diphenylphosphino)ethane)2](PF6)2
• CAS: 139199-33-0
• 化学式: C₅₈H₅₃ClNP₄Re*2F₆P
• 分子量: 1399.55
• InChiKey: JKAQVKNIVGVVPL-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  15.96
• 重原子数：
  72.0
• 可旋转键数：
  10.0
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  14.1
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为产物：
  描述：

  ammonium hexafluorophosphate 、 trans-[Re(NPh)(PPh3)2Cl3] 、 1,2-双(二苯基膦)乙烷 以 乙醇 为溶剂， 以48%的产率得到trans-{Re(NPh)(Cl)(1,2-bis(diphenylphosphino)ethane)2}{PF6}2
  参考文献：
  名称：

  Bakir, Mohammed; Paulson, Scott; Goodson, Patricia, Inorganic Chemistry, 1992, vol. 31, # 7, p. 1127 - 1129

  摘要：

  DOI：

文献信息

• The first rhenium(V)-imido compounds containing two chelating phosphine ligands of the type trans-[Re(NPh)X(L-L)2]2+ (L-L = bidentate phosphine ligand; X = halide or hydroxide). The structure of trans-[Re(NPh)(OH)(dppbe)2] (ClO4)2·2H2O
  作者：Mohammed Bakir、Jacinth A.M. McKenzie、B.Patrick Sullivan

  DOI：10.1016/s0020-1693(96)05117-1

  日期：1997.1

  The bidentate phosphine ligands 1,2-bis(diphenylphosphino)ethane (dppe), 1,2-bis(diphenylphosphino)ethene (dppee) or 1,2-bis(diphenylphosphino)benzene (dppbe) undergo reactions with the rhenium(V)-imido complex, trans-Re(NPh)Cl-3(PPh(3))(2), in refluxing alcoholic solvent to give mixtures of fac-Re(NPh)Cl-3(L-L) and trans-[Re(NPh)X(L-L)(2)](2+). Mild reaction conditions favor the monosubstituted complexes and harsh conditions favor the salts. The electrochemical properties of the salts reveal subtle differences associated with the backbone of the ligands. The structure of the hydroxy-imido salt trans-[Re(NPh)(OH)(dppbe)(2)](ClO4)(2) . 2H(2)O was determined and shows the rhenium atom displaced 0.536(2) Angstrom above the P-4 equatorial plane, the largest displacement observed for rhenium(V) compounds containing pi-donor ligands, and the Re-N(imido) distance of 1.757(10) Angstrom is the longest observed for rhenium(V)-imido compounds.