[(H)Ru(CO)(PPh3)2(4,4′-dicarboxy-2,2′-bipyridyl)] hexafluorophosphate | 1147124-85-3

• 英文名称: [(H)Ru(CO)(PPh3)2(4,4′-dicarboxy-2,2′-bipyridyl)] hexafluorophosphate
• 英文别名: [(H)Ru(CO)(PPh3)2(4,4′-dicarboxy-2,2′-bipyridyl)][PF6]；[(H)Ru(CO)(PPh3)2(dcbpy)][PF6]；[HRu(PPh3)2(4,4'-dicarboxylic-2,2'-bipyridyl)(CO)]PF6
• CAS: 1147124-85-3
• 化学式: C₄₉H₃₉N₂O₅P₂Ru*F₆P
• 分子量: 1043.84
• InChiKey: CEIWPKRKVJUIPN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  N-羟基丁二酰亚胺 、 [(H)Ru(CO)(PPh3)2(4,4′-dicarboxy-2,2′-bipyridyl)] hexafluorophosphate 在 N,N'-二环己基碳二亚胺 作用下， 以 乙腈 为溶剂， 反应 3.0h， 以32%的产率得到(H)Ru(CO)-(PPh3)2(4,4′-dicarboxy-2,2′-bipyridyl-N-succinimidyl) hexafluorophosphate
  参考文献：
  名称：

  Photophysical Studies of Bioconjugated Ruthenium Metal–Ligand Complexes Incorporated in Phospholipid Membrane Bilayers

  摘要：

  The luminescent, mono-diimine ruthenium complexes [(H)Ru(CO)(PPh3)(2)(dcbpy)][PF6] (1) (dcbpy = 4,4'-dicarboxy-2,2'-bipyridyl) and [(H)Ru(CO)(dppene)(5-amino-1,10-phen)][PF6] (2) (dppene = bis(diphenylphosphino)ethylene; phen = phenanthroline) were conjugated with 1,2-dihexadecanoyl-sn-glycero-3-phosphoethanolamine (DPPE) and with cholesterol in the case of complex 2. Using standard conjugation techniques, compound 1 gives the bis-lipid derivative [(H)Ru(CO)(PPh3)(2)(dcbpy-N-DPPE2)][PF6] (3), while 2 provides the monolipid conjugate [(H)Ru(CO)(dppene)(1,10-phen-5-NHC(S)-N-DPPE)][PF6] (4) and the cholesterol derivative [(H)Ru(CO)(dppene)(1,10-phen-5-NHC(O)Ocholesteryl)][PF6] (5). These compounds were characterized by spectroscopic methods, and their photophysical properties were measured in organic solvents. The luminescence of lipid conjugates 3 and 4 is quenched in organic solvents while compound 4 shows a weak, short-lived, blue-shifted emission in aqueous solution. The cholesterol conjugate 5 shows the long-lived, microsecond-time scale emission associated with triplet metal-to-ligand charge-transfer excited states. Incorporation of conjugate 3 in lipid bilayer vesicles restores the luminescence, but with blue shifts (similar to 80 nm) accompanied by nanosecond-time scale lifetimes. In the vesicles conjugate 4 shows a short-lived and blue-shifted emission similar to that observed in solution but with increased intensity. Conjugation of the complex [(H)Ru(CO)(PhP2C2H4C(O)O-N-succinimidyl)(2)(bpy)][PF6] (6 '') (bpy = 2,2'-bipyridyl) with DPPE gives the phosphine-conjugated complex [(H)Ru(CO)(PhP2C2H4C(O)-N-DPPE)(2)(bpy)][PF6] (7). Complex 7 also exhibits a short-lived and blue-shifted emission in solution and in vesicles as observed for complexes 3 and 4. We have also conjugated the complex [Ru(bpy)(2)(5-amino-1,10-phen)][PF6](2) (8) with both cholesterol (9) and DPPE (10). Neither complex 9 nor the previously reported complex 10 exhibited the blue shifts observed for complexes 3 and 4 when incorporated into large unilamellar vesicles (LUVs). The anisotropies of the emissions of complexes 3, 4, and 7 were also measured in LUVs, and those of complex 5 were measured in both glycerol and LUVs. High fundamental anisotropies were observed for complexes 3, 4, and 7.

  DOI：

  10.1021/ic400706u
• 作为产物：
  描述：

  [Ru(PPh3)2(4,4'-dicarboxylic-2,2'-bipyridyl)(CO)(trifluoroacetate)]PF6 以 乙醇 为溶剂， 生成 [(H)Ru(CO)(PPh3)2(4,4′-dicarboxy-2,2′-bipyridyl)] hexafluorophosphate
  参考文献：
  名称：

  使用 Ru(II) 单二亚胺配合物中的辅助配体调节光物理性质

  摘要：

  系列配合物 [XRu(CO)(L–L)(L′) 2 ][PF 6 ] (X = H, TFA, Cl; L–L = 2,2′-联吡啶，1,10-菲咯啉， 5-氨基-1,10-菲咯啉和4,4'-二羧基-2,2'-联吡啶; L' 2  = 2PPh 3 , Ph 2 PC 2 H 4 PPh 2 , Ph 2 PCH CHPPh 2 ) 已由以下合成首先与膦配体反应，然后与 L–L 反应并与 NaPF 6进行阴离子交换，得到起始配合物 K[Ru(CO) 3 (TFA) 3 ] (TFA = CF 3 CO 2 ) 。在L–L = 菲咯啉和L′ 2  = 2PPh 3的情况下，还获得了中性配合物Ru(Ph 3 P)(CO)(1,10-菲咯啉)(TFA) 2并报道了其固态结构。还报告了阳离子配合物的固态结构，其中 L–L = 菲咯啉，L 2  = 2PPh 3和 X = Cl，对于 L–L = 2

  DOI：

  10.1016/j.jorganchem.2008.11.048

文献信息

• Trans influence and substituent effects on the HOMO-LUMO energy gap and Stokes shift in Ru mono-diimine derivatives
  作者：Sanaa AlAbbad、Tova Sardot、Oliko Lekashvili、Daniel Decato、Francesco Lelj、J.B. Alexander Ross、Edward Rosenberg

  DOI：10.1016/j.molstruc.2019.06.005

  日期：2019.11

  excited triplet (T1) electronic states and corresponding optical spectra of a series of cationic complexes [RuH(CO)L(PPh3)2]+ (L=2,2´-bipyridyl) (Rubpy), 4,4´-dicarboxylic-2,2´-bipyridyl (Rudcbpy), bis-4,4'-(N-methylamide)-2,2´-bipyridyl (Rudamidebpy), bis-4,4'-(methyl)-2,2´-bipyridyl (RudMebpy), [Ru(CO)2dcbpy(PPh3)2]2+ (Ru(2CO)dcbpy), and [Ru(H)2dcbpy(PPh3)2] (Ru(2H)dcbpy) have been studied by combined Density

  一系列阳离子配合物的基态 (S0) 和激发三重态 (T1) 电子态以及相应的光谱 [RuH(CO)L(PPh3)2]+ (L=2,2´-联吡啶) (Rubpy), 4 ,4´-二羧基-2,2´-联吡啶 (Rudcbpy)、双-4,4'-(N-甲基酰胺)-2,2´-联吡啶 (Rudamidebpy)、双-4,4'-(甲基)- 2,2´-联吡啶 (RudMebpy)、[Ru(CO)2dcbpy(PPh3)2]2+ (Ru(2CO)dcbpy) 和 [Ru(H)2dcbpy(PPh3)2] (Ru(2H)dcbpy)已经通过使用 DFT 交换相关函数和基组的不同组合的组合密度泛函/时间相关密度泛函 (DFT/TDDFT) 技术进行了研究。PBE0/LANL2DZ 提供了更准确的几何形状来描述 S0，而 B3LYP/LANL2DZ 预测的光谱能量与可用实验数据更好地相关。RudMebpy、Rubp