2,5-bis[dicarbonyl(η5-cyclopentadienyl)(σ1-ethynyl)iron(II)]thiophene | 166543-53-9

• 英文名称: 2,5-bis[dicarbonyl(η5-cyclopentadienyl)(σ1-ethynyl)iron(II)]thiophene
• 英文别名: [(μ-C4H2S(CC)2)((C5H5)Fe(CO)2)2]
• CAS: 166543-53-9
• 化学式: C₂₂H₁₂Fe₂O₄S
• 分子量: 484.095
• InChiKey: SYXFNUCPXWBISN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
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• 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：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为反应物：
  描述：

  2,5-bis[dicarbonyl(η5-cyclopentadienyl)(σ1-ethynyl)iron(II)]thiophene 、 1,2-双(二苯基膦)乙烷 以 苯 为溶剂， 以23%的产率得到2,5-bis[(η5-cyclopentadienyl)(1,2-bis(diphenylphosphanyl)ethane)(σ1-ethynyl)iron(II)]thiophene
  参考文献：
  名称：

  A Joint Experimental and Computational Study on the Electronic Communication in Diethynylaryl‐Bridged (η ⁵ ‐C ₅ H ₅ )Fe(η ² ‐dppe) and (η ⁵ ‐C ₅ H ₅ )Fe(CO) ₂ Units

  摘要：

  AbstractA family of bimetallic complexes [Cp(CO)2Fe–C≡C–Ar–C≡C–Fe(CO)2Cp] {Cp = C5H5; 6a–g: Ar = C4H2S (a), 3‐(C4H9)‐C4HS (b), 3‐(C16H33)‐C4HS (c), C6H4 (d), 2,5‐bis(OC4H9)‐C6H2 (e), 2,5‐bis(OC8H17)‐C6H2 (f), (C6H4)2 (g)} was prepared by the three‐step Pd‐catalysed extended one‐pot (EOP) synthetic protocol from Bu3Sn–C≡CH, X–Ar–X (X = I, Br) and Cp(CO)2FeI. Complexes 6a,d,g were then exposed to ultraviolet irradiation in the presence of an equivalent amount of 1,2‐bis(diphenylphosphanyl)ethane (dppe) to form the corresponding bimetallic complexes [Cp(dppe)Fe–C≡C–Ar–C≡C–Fe(dppe)Cp] (7a,d,g). Compounds 6a–g and 7a,d,g were characterised by cyclic voltammetry (CV). The most significant electrochemical information comes from the oxidation of the dppe derivatives. The ΔE° separations between the subsequent reversible waves suggest that the efficiency of the metal–metal electronic coupling decreases in the order 7a > 7d > 7g. Complexes 7a and 7g were also chemically oxidised with [Fe(Cp*)]2[BF4] {Cp* = C5(CH3)5} and [Fe(Cp)]2[BF4] respectively, and the near infrared (NIR) spectra of the mixed‐valence species 7a+ and 7g+ were recorded. A strong intervalence transition (IT) band was observed only for the radical cation 7a+. While this finding confirms the existence of an electronic interaction between the two termini when a 2,5‐thiophene group is present in the spacer, the NIR spectrum of 7g+ reveals a reduced efficiency in conveying electrons when the C4H2S moiety is replaced by a 4,4′‐biphenyl. In order to rationalise and quantify the extent of electronic communication, ruled by geometrical and electronic factors, density functional computational results on selected [Cp (PH3)2Fe] and [Cp(CO)2Fe] binuclear model complexes are reported. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2006)

  DOI：

  10.1002/ejic.200600024
• 作为产物：
  描述：

  二氯四吡啶铁(II) 、 生成 2,5-bis[dicarbonyl(η5-cyclopentadienyl)(σ1-ethynyl)iron(II)]thiophene
  参考文献：
  名称：

  Liu, Ling-Kang; Chang, Kuo-Yang; Wen, Yuh-Sheng, Journal of the Chemical Society, Dalton Transactions, 1998, # 5, p. 741 - 743

  摘要：

  DOI：

文献信息

• Formation of Mo, W, Fe and Ru di(metal σ-acetylide) derivatives of 2.5-diethynylthiophene via palladium-catalyzed metal-carbon coupling
  作者：Egidio Viola、Claudio Lo Sterzo、Raffaella Crescenzi、Giuseppe Frachey

  DOI：10.1016/0022-328x(94)05471-m

  日期：1995.5

  um(II) [(CH3CN)2PdCl2] the iodocyclopentadienylmetal complexes [(η5-C5H5) M(CO)nI](1, M  Mo, n = 3; 2, M  W, n = 3; 3, M  Fe, n = 2, 4, M  Ru, n = 2) couple in a 2 to 1 ratio with 2,5-bis[(tributyltin)ethynyl]thiophene (5), to form the corresponding dimetal derivatives of general formula [(μ-C4H2SCC-2,5)(C5H5)M(CO)n}2] (6, M  Mo, n = 3; 7, M  W, n = 3; 8, M  Fe, n = 2; 9, M  Ru, n = 2).

  在双催化量存在（乙腈）二氯化钯（II）[（CH 3 CN）2的PdCl 2 ]的iodocyclopentadienylmetal配合物[（η 5 -C 5 H ^ 5）M（CO）Ñ I]（1中，M沫中，n = 3; 2，男W，N = 3; 3，男铁，n = 2时，4中，M茹中，n = 2）的情侣在2比1的比例与2,5-双[ （三丁基锡）乙炔基]噻吩（5），以形成通式的相应二金属衍生物[（μ-C 4 H ^ 2 SCC-2,5）（C 5 H ^ 5）M（CO）ñ} 2 ]（6，MMo，n = 3; 7，MW，n = 3; 8，MFe，n = 2; 9，MRu，n = 2）。