5,10,15-tris-pentafluorophenylcorrolato-iridium(III)bis-pyridine | 1189524-15-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5,10,15-tris-pentafluorophenylcorrolato-iridium(III)bis-pyridine
• 英文别名: (tpfc)Ir(III)(tma)2
• CAS: 1189524-15-9
• 化学式: C₄₇H₁₈F₁₅IrN₆
• 分子量: 1143.9
• InChiKey: PFDBDFFSVHKWPC-JBDQXHBDSA-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：
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• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  吡啶 、 5,10,15-tris(pentafluorophenyl)corrole 在 bis(1,5-cyclooctadiene)diiridium(I) dichloride 、 potassium carbonate 作用下， 以 四氢呋喃 为溶剂， 反应 1.5h， 以50%的产率得到5,10,15-tris-pentafluorophenylcorrolato-iridium(III)bis-pyridine
  参考文献：
  名称：

  Near-IR Phosphorescence of Iridium(III) Corroles at Ambient Temperature

  摘要：

  The photophysical properties of Ir(III) corroles differ from those of phosphorescent porphyrin complexes, cyclometalated and polyimine Ir(III) compounds, and other luminescent metallocorroles. Ir(III) corrole phosphorescence is observed at ambient temperature at wavelengths much longer (>800 nm) than those of most Ir(III) phosphors. The solvatochromic behavior of Ir(III)-corrole Soret and Q absorption bands suggests that the lowest singlet excited states (S-2 and S-1) are substantially more polar than the ground state.

  DOI：

  10.1021/ja101647t

文献信息

• Structures and Reactivity Patterns of Group 9 Metallocorroles
  作者：Joshua H. Palmer、Atif Mahammed、Kyle M. Lancaster、Zeev Gross、Harry B. Gray

  DOI：10.1021/ic901164r

  日期：2009.10.5

  metallocorroles 1-M(PPh3) and 1-M(py)2 [M = Co(III), Rh(III), Ir(III); 1 denotes the trianion of 5,10,15-tris-pentafluorophenylcorrole] have been fully characterized by structural, spectroscopic, and electrochemical methods. Crystal structure analyses reveal that average metal−N(pyrrole) bond lengths of the bis-pyridine metal(III) complexes increase from Co (1.886 Å) to Rh (1.957 Å)/Ir (1.963 Å); and the average

  第9组金属茂物1-M（PPh 3）和1-M（py）2 [ M = Co（III），Rh（III），Ir（III）; 1表示5,10,15-三-五氟苯基Corrole的三价阴离子]已经通过结构，光谱和电化学方法充分表征。晶体结构分析表明，双吡啶金属（III）配合物的平均金属-N（吡咯）键长从Co（1.886Å）增至Rh（1.957Å）/ Ir（1.963Å）。金属-N（吡啶）的平均键长也从Co（1.995Å）增加到Rh（2.065Å）/ Ir（2.059Å）。1-M（PPh 3）轴向配位点的配体亲和力以1-Co（PPh 3）的顺序急剧增加）<1-Rh（PPh 3）<1-Ir（PPh 3）。在五坐标和六坐标corrole级数之间，甚至在它们之间，M（+ / 0）还原势均具有令人惊讶的不变性；在相同条件下，CH 2 Cl 2溶液中1-M（PPh 3）的平均M（+ / 0）电势为0.78 V vs
• Metallocorroles
  申请人：California Institute of Technology

  公开号：US09243015B2

  公开（公告）日：2016-01-26

  Metallocorrole complexes of third row transition metals (see Formula I below) may be used as therapeutic agents, catalysts, components of oxygen detectors, and components of light emitting diodes. In particular, metallocorrole complexes of third row transition metals may be used as improved photosenitizers in photodynamic therapy; as improved catalysts in aziridination, epoxidation, and water splitting reactions; as improved in vivo imaging agents; and as improved components in the emissive layer of OLEDs. Due to their strongly sigma-donating nature, corroles are able to stabilize third row transition metals in high oxidation states. Third row transition metals are significantly more electropositive than their first and second row counterparts and may therefore act as improved catalysts. In addition, the high spin-orbit coupling constants of third row transition metals may lead to easier singlet-triplet inter-system crossing in the excited state, which in turn may allow for long-wavelength phosphorescence that is desirable for many applications.

  第三周期过渡金属的金属卟啉络合物（见下面的化学式I）可用作治疗剂、催化剂、氧气探测器的组成部分以及发光二极管的组成部分。特别地，第三周期过渡金属的金属卟啉络合物可用作光动力疗法中改进的光敏剂；作为氮杂环丙烷化、环氧化和水分解反应中改进的催化剂；作为改进的体内成像剂；以及作为OLED的发射层中改进的组件。由于它们强烈的σ-给体性质，卟啉能够稳定高氧化态的第三周期过渡金属。第三周期过渡金属明显比它们的第一和第二周期对应物更电正性，因此可能作为改进的催化剂。此外，第三周期过渡金属的高自旋轨道耦合常数可能导致在激发态中更容易的单三重态间系统交叉，从而可能实现许多应用所需的长波长磷光。