Re(III)(2,2':6',2''-terpyridine)Cl3 | 162555-14-8

• 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: Re(III)(2,2':6',2''-terpyridine)Cl3
• 英文别名: 2,6-Dipyridin-2-ylpyridine;trichlororhenium
• CAS: 162555-14-8
• 化学式: C₁₅H₁₁Cl₃N₃Re
• 分子量: 525.838
• InChiKey: OMUZVDLTJICWPO-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  5.27
• 重原子数：
  22
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  38.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  [Re(2,2',2''-terpyridine)Cl2(PPh3)]PF6 、 双(三苯基正膦基)氯化铵 以 二氯甲烷 为溶剂， 以79%的产率得到Re(III)(2,2':6',2''-terpyridine)Cl3
  参考文献：
  名称：

  Helberg, Lisa E.; Barrera, Joseph; Sabat, Michal, Inorganic Chemistry, 1995, vol. 34, # 8, p. 2033 - 2041

  摘要：

  DOI：

文献信息

• Coordination Chemistry of Low-Valent Rhenium Polypyridyl Complexes:  Synthesis, Reactivity, and Electrochemistry
  作者：Lisa E. Helberg、Stephen D. Orth、Michal Sabat、W. Dean Harman

  DOI：10.1021/ic960001l

  日期：1996.1.1

  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.