PtCl2(bis(mesitylimino)acenaphthene)(C2C6H4CF3)2 | 910650-66-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: PtCl2(bis(mesitylimino)acenaphthene)(C2C6H4CF3)2
• 英文别名: [Pt(-CCC6H4CF3)2(bis(mesitylimino)acenaphthene)]；PtCl2(MesBIAN)(C2C6H4CF3)2
• CAS: 910650-66-7
• 化学式: C₄₈H₃₆F₆N₂Pt
• 分子量: 949.898
• InChiKey: FPOVYVCPNHDKIB-NFSZIFMVSA-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：

  PtCl2(bis(mesitylimino)acenaphthene)(C2C6H4CF3)2 在 cobaltocene 作用下， 生成 [Pt(-CCC6H4CF3)2(bis(mesitylimino)acenaphthene)](1-)
  参考文献：
  名称：

  Near-Infrared Luminescence from Platinum(II) Diimine Compounds

  摘要：

  Square-planar Pt( II) complexes of the bis( mesitylimino) acenaphthene ( mesBIAN) ligand are emissive from a MMLL'CT excited state in a dichloromethane solution at room temperature. Investigation of the nature of the frontier orbitals in these near-IR emitters by a combination of emission spectroscopy, electron paramagnetic resonance spectroscopy, and density functional theory calculations suggests that emission is enabled by the presence of low-lying ligand pi* orbitals on the mesBIAN.

  DOI：

  10.1021/ic060399d
• 作为产物：
  描述：

  bis[N-(2,4,6-trimethylphenyl)imino]acenaphthene 在 copper(l) iodide triethyl amine 作用下， 以 二氯甲烷 为溶剂， 生成 PtCl2(bis(mesitylimino)acenaphthene)(C2C6H4CF3)2
  参考文献：
  名称：

  Near-Infrared Luminescence from Platinum(II) Diimine Compounds

  摘要：

  Square-planar Pt( II) complexes of the bis( mesitylimino) acenaphthene ( mesBIAN) ligand are emissive from a MMLL'CT excited state in a dichloromethane solution at room temperature. Investigation of the nature of the frontier orbitals in these near-IR emitters by a combination of emission spectroscopy, electron paramagnetic resonance spectroscopy, and density functional theory calculations suggests that emission is enabled by the presence of low-lying ligand pi* orbitals on the mesBIAN.

  DOI：

  10.1021/ic060399d

文献信息

• Photophysical Properties of Platinum(II)−Acetylide Complexes: the Effect of a Strongly Electron-Accepting Diimine Ligand on Excited-State Structure
  作者：Christopher J. Adams、Natalie Fey、Zoë A. Harrison、Igor V. Sazanovich、Michael Towrie、Julia A. Weinstein

  DOI：10.1021/ic800850h

  日期：2008.9.15

  copper(I) chloride, in which the copper atom is bonded to the two acetylide triple bonds. 1-5 each undergo an irreversible oxidation, and a reversible one-electron reduction to generate a stable anion. ESR studies of 1(-)-5(-) show that the unpaired electron is localized mainly on the pi* orbital of the coordinated MesBIAN ligand, with about 10% platinum contribution to the singly occupied molecular orbital

  化合物[Pt（MesBIAN）（C [三键] CR）2]（R = C6H4-CN-p，1; SiMe3，2; -CF3-p，3; C6H5，4; -CH3-p 5 ）MesBIAN = bis（mesitylimino）acenaphthene}已合成；报告了4和5的X射线晶体结构测定以及起始原料[Pt（MesBIAN）Cl2]。用二碘化学氧化4会生成中间的铂（IV）双（乙炔）二碘铂络合物，然后将其偶联并还原为乙炔，成为乙炔配体，从而导致[Pt（MesBIAN）I2] 6的生成。化合物2容易与氯化铜（I）形成加合物2a，其中铜原子键合至两个乙炔三键。1-5各自经历不可逆的氧化和可逆的单电子还原以产生稳定的阴离子。1（-）-5（-）的ESR研究表明，未配对的电子主要位于配位MesBIAN配体的pi *轨道上，其中约10％的铂对单占据的分子轨道（SOMO）起作用。该化合物在紫外/可见光谱中约500