[Re(2,2'-bipyridine(C(O)OC2H5)2)(CO)3Cl] | 134438-72-5

• 英文名称: [Re(2,2'-bipyridine(C(O)OC2H5)2)(CO)3Cl]
• 英文别名: Re(4,4′-diethylester-2,2′-bipyridine)(CO)₃Cl；Re(deeb)(CO)₃Cl；[Re(bpy-(C(O)OC2H5)2)(CO)3Cl]
• CAS: 134438-72-5
• 化学式: C₁₉H₁₆ClN₂O₇Re
• 分子量: 606.005
• InChiKey: ICOFAVVEJPFTKV-UHFFFAOYSA-M

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：

  N-(pyridin-4-ylmethyl)benzamide 、 [Re(2,2'-bipyridine(C(O)OC2H5)2)(CO)3Cl] 在 六氟磷酸银 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以20%的产率得到fac-(N-benzoyl-4-(aminomethyl)pyridine)((C5H3N(C(O)OEt))2)(CO)3Re(I)(1+)
  参考文献：
  名称：

  Brent MacQueen; Schanze, Kirk S., Journal of the American Chemical Society, 1991, vol. 113, # 20, p. 7470 - 7479

  摘要：

  DOI：
• 作为产物：
  描述：

  五羰基氯铼(I) 、 2,2’-联吡啶-4,4’-二甲酸乙酯 以 甲苯 为溶剂， 反应 2.0h， 以84%的产率得到[Re(2,2'-bipyridine(C(O)OC2H5)2)(CO)3Cl]
  参考文献：
  名称：

  De羰基染料的红移由所占据的轨道不稳定引起

  摘要：

  制备了一系列of二亚胺羰基配合物并进行了表征，以研究轴向配体对电子结构的影响。[Re（deeb）（CO）3（NCCH 3）] +（deeb = 4,4'-diethylester-2,2'- bipyridine）的轴向羰基和乙腈配体分别被三甲基膦和氯化物系统取代出现红移的吸光度特征。这些红移是由于参与金属到配体的电荷转移跃迁的占据的d轨道不稳定而引起的。时变密度泛函理论确定了每个跃迁中涉及的轨道，并为配体取代引起的轨道能量变化提供了支持。

  DOI：

  10.1021/acs.inorgchem.8b00360

文献信息

• Energy Migration Processes in Re(I) MLCT Complexes Featuring a Chromophoric Ancillary Ligand
  作者：Kaylee A. Wells、James E. Yarnell、Jonathan R. Palmer、Tia S. Lee、Christopher M. Papa、Felix N. Castellano

  DOI：10.1021/acs.inorgchem.0c00644

  日期：2020.6.15

  ultrafast and supra-nanosecond photophysical properties of a series of five Re(I) bichromophores exhibiting metal to ligand charge transfer (MLCT) excited states based on the general formula fac-[Re(N∧N)(CO)3(PNI-py)]PF6, where PNI-py is 4-piperidinyl-1,8-naphthalimidepyridine and N∧N is a diimine ligand (Re1–5), along with their corresponding model chromophores where 4-ethylpyridine was substituted for PNI-py

  我们介绍了基于通式fac- [Re]的五个展现金属到配体电荷转移（MLCT）激发态的Re（I）双色团系列的合成，结构表征，电子结构计算以及超快和超纳秒光物理性质。（N ∧ N）（CO）3（PNI-PY）] PF 6，在那里PNI-PY是4-哌啶基-1,8- naphthalimidepyridine和N ∧ N是二亚胺配体（部Re1 - 5）中，用其相应的沿其中4-乙基吡啶代替PNI-PY（模型生色团MOD1 - 5）。使用的二亚胺配体包括1,10-菲咯啉（phen，1），2,9-二甲基-4,7-二苯基-1,10-菲咯啉（bcp，2），4,4'-二叔丁基-2,2'-联吡啶（dtbb，3），4， 4′-二乙酯-2，2′-联吡啶（deeb，4）和2，2′-联喹啉（biq，5）。在这些金属有机双发色团中，由于3的变化，二亚胺配体的结构修饰导致观察到的两个发色团之间的能量转移效率发生了实质性变化。
• Photophysical properties of polypyridyl carbonyl complexes of rhenium(I)
  作者：Laura A. Worl、Rich Duesing、Pingyun Chen、Leopoldo Della Ciana、Thomas J. Meyer

  DOI：10.1039/dt9910000849

  日期：——

  The photophysical properties of the metal to ligand charge transfer (m.l.c.t.) excited states of the complexes [Re(4,4'-X2-bipy)(CO)3Cl] (X = NH2, NEt2, NHCOCH3, OCH3, CH3, H, Ph, Cl, CO2Et or NO2, bipy = bipyridine) vary systematically as the substituent X is varied. For the cases where m.l.c.t. states are lowest lying a quantitative correlation exists between In(k(nr) x 1 s)(k(nr) is the rate constant for nonradiative decay) and the Franck-Condon factor calculated from parameters obtained by emission spectral fitting. The solvent reorganizational energy for [Re(bipy)(CO)3Cl] has been determined to be 1100 cm-1 in EtOH-MeOH (4:1 v/v) and 650 cm-1 in 2-methyltetrahydrofuran by a temperature dependent bandwidth study. Based on a comparative analysis of properties with related polypyridyl complexes of Ru parallel-to and Os parallel-to it has been concluded that: (1) the extent of distortion at the 4,4'-X2-bipy acceptor ligand correlates with the energy gap between the excited and ground states; these results are in agreement with an earlier correlation found for polypyridyl complexes of Os parallel-to; (2) the unusually large Stokes shift and the broadening of the vibronic components in absorption and emission spectra arise from a combination of increased solvent reorganizational energies and greater distortions in the low-frequency modes between the excited and ground states; and (3) the relatively short lifetimes for the complexes of Re(I) have as a major contributing factor the participation of a nu-(CO) mode at ca. 2020-2040 cm-1 as an energy acceptor in non-radiative decay.