[Re(CO)₃(4,4′-Me₂bipy)(CH₃CN)]BF₄ | 1158989-25-3

• 英文名称: [Re(CO)₃(4,4′-Me₂bipy)(CH₃CN)]BF₄
• 英文别名: [Re(CO)₃(4,4'-dimethyl-2,2'-bipyridine)(CH₃CN)]BF₄；[fac-Re(4,4'-dimethyl-2,2'-bipyridine)(CO)₃(MeCN)]BF₄；[fac-Re(4,4'-Me₂bpy)(CO)₃(MeCN)]BF₄；[Re(CO)3(4,4'-Me2bipy)(CH3CN)]BF4；fac-[renium(I)(tricarbonyl)(4,4'-dimethyl-2,2'-bipyrdine)(acetonitrile)](tetrafluoroborate)
• CAS: 1158989-25-3
• 化学式: BF₄*C₁₇H₁₅N₃O₃Re
• 分子量: 582.336
• InChiKey: RHYISYJKWFBIFZ-UHFFFAOYSA-N

计算性质

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

反应信息

• 作为反应物：
  描述：

  2-pyridin-3-yl-isoindole-1,3-dione 、 [Re(CO)₃(4,4′-Me₂bipy)(CH₃CN)]BF₄ 以 氯仿 为溶剂， 生成 fac-[Re(CO)3(4,4'-dimethyl-2,2'-bipyridine)(3-amino-N-phthalimidopyridine)](BF4)
  参考文献：
  名称：

  Syntheses, structural studies and spectroscopic characterisation of pyridyl–phthalimide complexes of fac-(CO)3ReI-diimines

  摘要：

  The mono-dentate ligands, 3-aminomethyl-N-phthalimido-pyridine (L-1) and 3-amino-N-phthalimidopyridine (L-2), were synthesised using a solvent-free melt method. These ligands were then used to access three pairs of functionalised luminescent Re-I complexes of the generic type fac-{Re(CO)(3)(diimine)(L-n)}(BF4) [where diimine = 4,4'-dimethyl-2,2'-bipyridine (dmb); 2,2'-bipyridine (bpy); 1,10-phenanthroline (phen)]. X-ray crystallography has been used to structurally characterise five of the complexes showing that in the cases of the L-1 species the phthalimide unit is adjacent to and co-planar with the coordinated diimine ligand. Solution state UV-Vis absorption, electrochemistry and IR studies confirm that the proposed formulations and coordination modes exist in solution. The photophysical studies show that the visible emission from each of the six complexes is (MLCT)-M-3 at room temperature. Within each pair of complexes the precise energy of the emission was subtly dependent upon the axial ligand, L-n with luminescence lifetimes in the range 121-288 ns. (C) 2009 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2008.12.048
• 作为产物：
  描述：

  4,4'-二甲基-2,2'-联吡啶 以 甲苯 为溶剂， 反应 32.0h， 生成 [Re(CO)₃(4,4′-Me₂bipy)(CH₃CN)]BF₄
  参考文献：
  名称：

  Experimental and theoretical characterisation of phosphorescence from rhenium polypyridyl tricarbonyl complexes

  摘要：

  Synthetic, spectroscopic and theoretical methods are used to probe the photophysics of five rhenium polypyridyl tricarbonyl complexes, which exhibit strong phosphorescence behaviour. Particular focus is placed on the effect of polypyridyl ligand structure on absorption and emission properties, for instance by extending conjugation or by addition of electron donating groups. Experimental methods are performed in a consistent and controlled manner, thereby giving data that is ideally suited for comparison with theory. Modifications in ligand structure give rise to large changes in absorption energies, but rather smaller differences in emission. Density functional theory (DFT) and its time-dependent formulation (TD-DFT) perform rather better in predicting emission than absorption. The effect of environment on photo-physical properties was probed theoretically by protonating nitrogen(s) of dipyrido[3,2-a:2',3'-c]phenazine (dppz). This has a large effect on calculated spectra and leads to more complex patterns of absorption and emission that require spin-orbit coupling to be included in DEL calculations for full explanation. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2013.09.033

文献信息

• Photophysics and ultrafast processes in rhenium(<scp>i</scp>) diimine dicarbonyls
  作者：Hala Atallah、Chelsea M. Taliaferro、Kaylee A. Wells、Felix N. Castellano

  DOI：10.1039/d0dt01765e

  日期：——

  In this work, a series of nine Re(I) diimine dicarbonyl complexes of the general molecular formula cis-[Re(N^N)2(CO)2]+ (N^N are various 2,2′-bipyridine (bpy) or 1,10-phenanthroline (phen) derivatives) were prepared and spectroscopically investigated to systematically evaluate the photophysical consequences of various substituents resident on the diimine ligands. These panchromatic absorbing chromophores

  在这项工作中，一系列九种通式为顺式-[Re（N ^ N）2（CO）2 ] +的Re（I）二亚胺二羰基配合物（N ^ N是各种2,2'-联吡啶（bpy）或1,10-菲咯啉（phen）衍生物）并进行光谱研究以系统地评估驻留在二亚胺配体上的各种取代基的光物理结果。这些全色吸收发色团经过结构表征，评估了它们的电化学和光谱电化学性质，并使用了静态和动态电子吸收，光致发光（PL）和红外光谱从超快到超纳秒的时间范围进行了研究。电子结构计算进一步支持了超快时间分辨红外（TRIR）分析，该计算表征了两个C内的变化金属-配体电荷转移（MLCT）激发态形成时的O振动模式。这一系列二羰基分子的MLCT激发态衰变似乎与能隙定律行为完全一致，其中非辐射衰变速率常数随激发态-基态能量分离的降低呈对数增加，除非预期的取代基是苯基或叔叔丁基。
• Iminoether Complexes of the Type, <i>fac</i> ‐[Re(CO) ₃ L{HNC(CH ₃ )OCH ₃ }]BF ₄ (L = Bipyridine or a Substituted Bipyridine): Synthesis and Properties
  作者：Theshini Perera、Pramuditha Abhayawardhana、Frank R. Fronczek、Patricia A. Marzilli、Luigi G. Marzilli

  DOI：10.1002/ejic.201100768

  日期：2012.2

  (an iminoether) complexes, fac-[Re(CO)3LHNC(CH3)OCH3}]BF4 [where L = 2,2′-bipyridine (bipy), 4,4′-Me2bipy, 5,5′-Me2bipy, or 6,6′-Me2bipy], were formed when fac-[Re(CO)3(CH3CN)3]BF4 in acetonitrile/methanol was treated with 2,2′-bipyridine (bipy) or the dimethyl-2,2′-bipyridines (4,4′-Me2bipy, 5,5′-Me2bipy, or 6,6′-Me2bipy). Structural analysis of the four fac-[Re(CO)3LHNC(CH3)OCH3}]BF4 complexes revealed

  乙酰亚胺酸甲酯（一种亚氨基醚）配合物 fac-[Re(CO)3LHNC(CH3)O }]BF4 [其中 L = 2,2'-联吡啶 (bipy), 4,4'-Me2bipy, 5,5 '-Me2bipy，或 6,6'-Me2bipy]，是在乙腈/甲醇中的 fac-[Re(CO)3( CN)3]BF4 用 2,2'-联吡啶 (bipy) 或二甲基- 2,2'-联吡啶（4,4'-Me2bipy、5,5'-Me2bipy 或 6,6'-Me2bipy）。四种 fac-[Re(CO)3LHNC( )O }]BF4 复合物的结构分析表明，所有复合物都与 Z 构型中的亚胺醚配体结晶，并且 L 中涉及两个吡啶环的畸变是除了 6,6'-Me2bipy 高度扭曲外，其他都是次要的。6,6'-Me2bipy 配体的这种畸变反映在 NMR 光谱数据中。复合物形成后，6,6'-Me2bipy 的
• Models for B₁₂-Conjugated Radiopharmaceuticals. Cobaloxime Binding to New <i>fac</i>-[Re(CO)₃(Me₂Bipyridine)(amidine)]BF₄ Complexes Having an Exposed Pyridyl Nitrogen
  作者：Nerissa A. Lewis、Patricia A. Marzilli、Frank R. Fronczek、Luigi G. Marzilli

  DOI：10.1021/ic5016675

  日期：2014.10.20

  pyridine) complexes increased with increasing basicity of the 4-Xpy derivative, a finding attributed to the influence of the magnetic anisotropy of the cobalt center on the shifts of the 1H NMR signals of the pyridyl protons closest to Co. Our method of employing a coordinate bond for conjugating the fac-[ReI(CO)3] core to a vitamin B12 model could be extended to natural B12 derivatives. Because B12 compounds

  新的单核am络合物FAc- [Re（CO）3（Me 2 bipy）（HNC（CH 3）（pyppz））] BF 4 [（4,4'-Me 2 bipy（1），5,5'-通过处理母体FAc- [Re I（CO）3（Me 2 bipy ），合成了Me 2 bipy（2）和6,6'-Me 2 bipy（3）]（bipy = 2,2'-bipyridine））（CH 3 CN）] BF 4与C 2的络合物-对称胺1-（4-吡啶基）哌嗪（pyppzH）。轴向am配体具有暴露的高碱性吡啶基氮。复合物的反应1 - 3用B 12模型，（PY）的Co（DH）2 Cl（上DH =二甲基乙二肟的单价阴离子），在CH 2氯2，得到相应的双核配合物，即，FAC - [的Re（CO）3（Me 2 bipy）（μ-（HNC（CH 3）（pyppz）））Co（DH）2 Cl] BF 4 [（4,4'-Me 2 bipy（4），5