[iridium(III)2(μ-Cl)2(C3N2H3C6H2CH2C2H4C6H3N(C6H4OCH3)2)4] | 1151886-25-7

• 英文名称: [iridium(III)2(μ-Cl)2(C3N2H3C6H2CH2C2H4C6H3N(C6H4OCH3)2)4]
• CAS: 1151886-25-7
• 化学式: C₁₂₈H₁₁₂Cl₂Ir₂N₁₂O₈
• 分子量: 2401.72
• InChiKey: RFGURVUKGJYKEM-UHFFFAOYSA-L

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：

  meso-(4-(N-(2,5-di-tert-butylphenyl)-naphthalene-1,4,5,8-tetracarboxyldiimide)phenyl)dipyrromethane 、 [iridium(III)2(μ-Cl)2(C3N2H3C6H2CH2C2H4C6H3N(C6H4OCH3)2)4] 在 2,3-二氯-5,6-二氰基-1,4-苯醌 、 potassium carbonate 作用下， 以 四氢呋喃 为溶剂， 反应 12.25h， 生成
  参考文献：
  名称：

  Complete Monitoring of Coherent and Incoherent Spin Flip Domains in the Recombination of Charge-Separated States of Donor-Iridium Complex-Acceptor Triads

  摘要：

  The spin chemistry of photoinduced charge-separated (CS) states of three triads comprising one or two triarylamine donors, a cyclometalated iridium complex sensitizer and a naphthalene diimide (NDI) acceptor, was investigated by transient absorption spectroscopy in the ns-mu s time regime. Strong magnetic-field effects (MFE) were observed for two triads with a phenylene bridge between iridium complex sensitizer and NDI acceptor. For these triads, the lifetimes of the CS states increased from 0.6 mu s at zero field to 40 mu s at about 2 T. Substituting the phenylene by a biphenyl bridge causes the lifetime of the CS state at zero field to increase by more than 2 orders of magnitude (tau = 79 mu s) and the MFE to disappear almost completely. The kinetic MFE was analyzed in the framework of a generalized Hayashi-Nagakura scheme describing coherent (5, T-0 <-> T-+/- as well as incoherent (S, T-0 reversible arrow T-+/-) processes by a single rate constant k(+/-). The magnetic-field dependence of k(+/-). of the triads with phenylene bridge spans 2 orders of magnitude and exhibits a biphasic behavior characterized by a superposition of two Lorentzians. This biphasic MFE is observed for the first time and is clearly attributable to the coherent (B < 10 mT) and incoherent (10 mT < B < 2 T) domains of spin motion induced by isotropic and anisotropic hyperfine coupling. The parameters of both domains are well understood in terms of the structural properties of the two triads, including the effect of electron hopping in the triad with two donor moieties. The kinetic model also accounts for the reduction of the MFE on reducing the rate constant of charge recombination in the triad with the biphenyl bridge.

  DOI：

  10.1021/jacs.5b04868
• 作为产物：
  描述：

  iridium(III) chloride trihydrate 、 N,N-bis(4-methoxyphenyl)-14-pyrazol-1-yltricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-5-amine 以 乙二醇乙醚 、 水 为溶剂， 以360 mg的产率得到[iridium(III)2(μ-Cl)2(C3N2H3C6H2CH2C2H4C6H3N(C6H4OCH3)2)4]
  参考文献：
  名称：

  Complete Monitoring of Coherent and Incoherent Spin Flip Domains in the Recombination of Charge-Separated States of Donor-Iridium Complex-Acceptor Triads

  摘要：

  The spin chemistry of photoinduced charge-separated (CS) states of three triads comprising one or two triarylamine donors, a cyclometalated iridium complex sensitizer and a naphthalene diimide (NDI) acceptor, was investigated by transient absorption spectroscopy in the ns-mu s time regime. Strong magnetic-field effects (MFE) were observed for two triads with a phenylene bridge between iridium complex sensitizer and NDI acceptor. For these triads, the lifetimes of the CS states increased from 0.6 mu s at zero field to 40 mu s at about 2 T. Substituting the phenylene by a biphenyl bridge causes the lifetime of the CS state at zero field to increase by more than 2 orders of magnitude (tau = 79 mu s) and the MFE to disappear almost completely. The kinetic MFE was analyzed in the framework of a generalized Hayashi-Nagakura scheme describing coherent (5, T-0 <-> T-+/- as well as incoherent (S, T-0 reversible arrow T-+/-) processes by a single rate constant k(+/-). The magnetic-field dependence of k(+/-). of the triads with phenylene bridge spans 2 orders of magnitude and exhibits a biphasic behavior characterized by a superposition of two Lorentzians. This biphasic MFE is observed for the first time and is clearly attributable to the coherent (B < 10 mT) and incoherent (10 mT < B < 2 T) domains of spin motion induced by isotropic and anisotropic hyperfine coupling. The parameters of both domains are well understood in terms of the structural properties of the two triads, including the effect of electron hopping in the triad with two donor moieties. The kinetic model also accounts for the reduction of the MFE on reducing the rate constant of charge recombination in the triad with the biphenyl bridge.

  DOI：

  10.1021/jacs.5b04868

文献信息

• A small cationic donor–acceptor iridium complex with a long-lived charge-separated state
  作者：Barbara Geiß、Christoph Lambert

  DOI：10.1039/b820744e

  日期：——

  A cationic cyclometalated iridium complex with a triarylamine donor attached to the primary ligand sphere showed long-lived (0.04 and 1.7 μs) charge-separated states after photoexcitation which are due to a combined Marcus inverted region effect and spin-selection rules.

  一种阳离子环甲基化铱配合物的主配体球上附有三芳基胺供体，光激发后显示出长寿命（0.04 和 1.7 μs）的电荷分离态，这是马库斯倒置区效应和自旋选择规则共同作用的结果。