Fe(κ2-dppe)(η5-C5Me5){C≡C(1,4-C6H4)C≡CH} | 557790-38-2

• 英文名称: Fe(κ2-dppe)(η5-C5Me5){C≡C(1,4-C6H4)C≡CH}
• 英文别名: Fe(κ²-dppe)(η⁵-C₅Me₅){C≡C(1,4-C₆H₄)C≡CH}；[(η2-1,2-bis(diphenylphosphino)ethane)(η5-C5Me5)FeCC(1,4-(C6H4)-C2H)]；(η2-1,2-bis(diphenyldiphosphino)ethane)(η5-C5Me5)Fe[C2(4-C6H4C2H)]；(η2-dppe)(η5-C5Me5)Fe[C2(4-C6H4C2H)]
• CAS: 557790-38-2
• 化学式: C₄₆H₄₄FeP₂
• 分子量: 714.65
• InChiKey: YVDKTPLORGDMEU-UHFFFAOYSA-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：

  Fe(κ2-dppe)(η5-C5Me5){C≡C(1,4-C6H4)C≡CH} 、 [RuCl(dppe)2]OTf 在 KPF₆ 、 KOC(CH₃)3 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 以84%的产率得到(η2-dppe)(η5-C5Me5)Fe[C2-1,4-(C6H4)C2]Ru(η2-dppe)2Cl
  参考文献：
  名称：

  具有1,4-二乙炔基芳基间隔基的混合价双核铁-钌配合物的分子内光电子转移

  摘要：

  基态的电子结构和阳离子混合价双核配合物的最低激发态[（η 2 -dppe）（η 5 -C 5我5）的Fe [C≡C-1,4-（C 6 ħ 4）C≡C]钌（η 2 -dppe）2（X）] [PF 6 ]（X =氯，2 ; X =C≡C（4-C 6 H ^ 4 NO 2），5讨论），特别强调钌和铁中心之间的光诱导分子内电子转移。这些异双核混合价（MV）复合物在近红外（near-IR）范围内显示的低吸收的位置和强度与基于Hush模型的预测相关，强烈暗示它们对应于间隔电荷-传输（IVCT）频段。

  DOI：

  10.1021/om700584m
• 作为产物：
  描述：

  在 potassium tert-butylate 作用下， 以 甲醇 为溶剂， 以69%的产率得到Fe(κ2-dppe)(η5-C5Me5){C≡C(1,4-C6H4)C≡CH}
  参考文献：
  名称：

  “扩展的” Cumulene配合物的进一步证据：来自与卤化物阴离子和水反应的衍生物。

  摘要：

  的反应的[Ru {C = C（H）-1,4--C 6 H ^ 4 C≡CH}（PPH 3）2的Cp] BF 4（[ 1 ] BF 4）与氢卤酸，HX，结果在[Ru {C≡C‐1,4‐C 6 H 4 ‐C （X）= CH 2 }（PPh 3）2 Cp]的形成[X = Cl（2 a‐Cl），Br（2 a‐Br）]，这是由于将卤化物阴离子容易地添加到假定的喹诺酮异丙苯阳离子[Ru（= C = C = C 6 H 4 = C = CH 2）（PPh 3）2 Cp] +。同样，[M {C = C（H）-1,4 -C 6 H 4 - C≡CH}（LL）Cp] BF 4 [M（LL）Cp'= Ru（PPh 3）2 Cp（[ 1 a ] BF 4）; Ru（dppe）Cp *（[ 1 b ] BF 4）; Fe（dppe）Cp（[ 1 c ] BF 4）; Fe（dppe）Cp *（[ 1 d ] BF 4）]与H

  DOI：

  10.1002/chem.201905399

文献信息

• Versatile reactions of a para-bromophenylacetylide iron(II) derivative and X-ray structure of the fluoro analogue.
  作者：James Courmarcel、Gildas Le Gland、Loic Toupet、Frédéric Paul、Claude Lapinte

  DOI：10.1016/s0022-328x(02)02137-x

  日期：2003.3

  The synthesis of the new (eta(2)-dppe)(n(5)-C5Me5)Fe-CdropC-1,3-(C6H4X) (m-2a/2b; X = F/Br) and (n(2)-dppe)(eta(5)-C5Me5)Fe-CdropC-1,4-(C6H4F) (2a) (2c) complexes, as well as the solid-state structure of the known (eta(2)-dppe)(eta(5)-C5Me5)Fe-CdropC-1,4-(C6H4F) (2a) complex are described. The catalytic coupling reactions of the bromo complexes with various alkynes were next investigated. Starting from the known (eta(2)-dppe)(eta(5)-C5Me5)Fe-CdropC-1,4-(C6H4Br) complex (2b), the synthesis of the (eta(2)-dppe)(eta(5)-C5Me5)FeCdropC-1,4-(C6H4)-CdropC-H complex (6d) and of the corresponding silyl-protected precursors (eta(2)-dppe)(eta(5)-C5Me5)Fe-CdropC-1,4-(C6H4)CdropC-SiR3 (6b/6c; R = Pr-1/Me) are reported. By use of lithium-bromine exchange reactions on 2b, the silyl-(7a; E = Si; R = Me) and tin- (7b-7d; E = Sn; R = Me, Bu, Ph) substituted analogues (eta(2)-dppe)(eta(5)-C5Me5)Fe-CdropC-1,4-(C6H4)ER3 are also isolated. The spectroscopic and electrochemical characterisations of all these new Fe(II)/Fe(III) redox-active building blocks are presented and the electronic substituent parameters for the ''(eta(2)-dppe)(eta(5)-C5Me5)Fe-CdropC" group are determined by means of F-19-NMR. (C) 2002 Elsevier Science B.V. All rights reserved.
• Synthesis and Characterization of Redox-Active Mononuclear Fe(κ²-dppe)(η⁵-C₅Me₅)-Terminated π-Conjugated Wires
  作者：Katy Green、Nicolas Gauthier、Hiba Sahnoune、Gilles Argouarch、Loic Toupet、Karine Costuas、Arnaud Bondon、Bruno Fabre、Jean-François Halet、Frédéric Paul

  DOI：10.1021/om400515g

  日期：2013.8.12

  Several new redox-active Fe(kappa(2)-dppe)(eta(5)-C5Me5) arylacetylide complexes featuring pendant ethynyl (Fe(kappa(2)-dppe)(eta(5)-C5Me5)-[C equivalent to C(1,4-C6H4)}(n)C equivalent to CH] (1b-d; n = 1-3), Fe(kappa(2)-dppe)(eta(5)-C5Me5)[C equivalent to C(1,3-C6H4)C equivalent to CH] (2)) or ethenyl (Fe(kappa(2)-dppe)(eta(5)-C5Me5)[CE equivalent to C(1,4-C6H4)CH equivalent to CH2] (3)) groups have been synthesized and characterized under their Fe(II) and Fe(III) states. In contrast to the known ethynyl Fe(III) complex [Fe(kappa(2)-dppe)(eta(5)-C5Me5)(C7 equivalent to CH)][PF6] (1a[PF6]), most of the new Fe(III) derivatives turned out to be kinetically stable in solution. A consistent picture of the electronic structure of the latter complexes in both redox states emerged from experimental data and DFT calculations. This study revealed that beyond the first 1,4-phenylene ring, modification or extension of the carbon-rich linker using (4-phenylene)ethynylene spacers will have only a minor influence on their electronic properties in their ground state, while still maintaining some (weak) electronic interaction along the carbon-rich backbone.