isocyanotris(pentafluorophenyl)boratotricarbonyl(4,7-dimethyl-1,10-phenanthroline)rhenium(I) | 1590438-81-5

• 英文名称: isocyanotris(pentafluorophenyl)boratotricarbonyl(4,7-dimethyl-1,10-phenanthroline)rhenium(I)
• 英文别名: Re(4,7-dimethyl-1,10-phenanthroline)(CO)₃[CNB(C₆F₅)₃]；Re(Me₂phen)(CO)₃[CNB(C₆F₅)₃]；[Re(CO)₃(4,7-Me2phen){CNB(C₆F₅)₃}]；[Re(CO)₃(4,7-dimethyl-1,10-phenanthroline){CNB(C₆F₅)₃}]
• CAS: 1590438-81-5
• 化学式: C₃₆H₁₂BF₁₅N₃O₃Re
• 分子量: 1016.5
• InChiKey: LLPIQTFXYVRPSX-UHFFFAOYSA-N

反应信息

• 作为产物：
  描述：

  cyanotricarbonyl(4,7-dimethyl-1,10-phenanthroline)rhenium(I) 、 三(五氟苯基)硼烷 以 二氯甲烷 为溶剂， 以52%的产率得到isocyanotris(pentafluorophenyl)boratotricarbonyl(4,7-dimethyl-1,10-phenanthroline)rhenium(I)
  参考文献：
  名称：

  A Simple Design for Strongly Emissive Sky-Blue Phosphorescent Neutral Rhenium Complexes: Synthesis, Photophysics, and Electroluminescent Devices

  摘要：

  A simple design strategy for a new class of stable, vacuum-sublimable, and strongly emissive sky-blue neutral phosphorescent Re(I) phenanthroline complexes {Re(R(2)phen)(CO)(3)[CNB(C6F5)(3)]} is reported. These complexes show intense bluish green emission in CH2Cl2 solution with the highest emission quantum yield and bluest emission ever reported for the neutral Re(I) amine complexes. In the solid state, they display sky-blue emission. The electroluminescent properties of devices containing these complexes have also been investigated.

  DOI：

  10.1021/cm4038654

文献信息

• Strongly Phosphorescent Neutral Rhenium(I) Isocyanoborato Complexes: Synthesis, Characterization, and Photophysical, Electrochemical, and Computational Studies
  作者：Wing-Kin Chu、Xi-Guang Wei、Shek-Man Yiu、Chi-Chiu Ko、Kai-Chung Lau

  DOI：10.1002/chem.201405291

  日期：2015.2.2

  isocyanoborato rhenium(I) diimine complexes [Re(CO)3(N^N)(CNBR3)], where N^N=bpy, 4,4′‐Me2bpy, phen, 4,7‐Me2phen, 2,9‐Me2phen, 3,4,7,8‐Me4phen; R=C6F5, C6H5, Cl, 4‐ClC6H4, 3,5‐(CF3)2C6H3, with various isocyanoborate and diimine ligands of diverse electronic and steric nature have been synthesized and characterized. The X‐ray crystal structures of six complexes have also been determined. These complexes displayed

  一系列新的中性异氰基硼酸rh（I）二亚胺配合物[Re（CO）3（N ^ N）（CNBR 3）]，其中N ^ N = bpy，4,4'-Me 2 bpy，phen，4,7 -Me 2 phen，2,9-Me 2 phen，3,4,7,8-Me 4 phen; R = C ^ 6 ˚F 5，C 6 H ^ 5，氯，4-CLC 6 ħ 4，3,5-（CF 3）2 C ^ 6 ħ 3合成并表征了具有各种电子和空间性质的各种异氰基硼酸酯和二亚胺配体。还确定了六个配合物的X射线晶体结构。这些配合物在室温下在二氯甲烷溶液中显示出强烈的蓝绿色至黄色磷光。已经研究了这些配合物的光物理和电化学性质。为了阐明这些络合物的电子结构和跃迁，已进行了DFT和TD-DFT计算，结果表明与这些络合物相关的最低能量电子跃迁源自MLCT [dπ（Re）→π*（N ^ N）]和LLCT [π（CNBR 3）→π*（N ^ N）]过渡。