[(p-CH3OC6H4)3P]2Fe(CO)3 | 135390-03-3

• 英文名称: [(p-CH3OC6H4)3P]2Fe(CO)3
• CAS: 135390-03-3
• 化学式: C₄₅H₄₂FeO₉P₂
• 分子量: 844.618
• InChiKey: MMLITHWRGKUVQK-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：

  [(p-CH3OC6H4)3P]2Fe(CO)3 、 三氟甲磺酸 以 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  Heats of protonation of transition-metal complexes: the effect of phosphine basicity on metal basicity in CpIr(CO)(PR3) and Fe(CO)3(PR3)2

  摘要：

  Titration calorimetry has been used to determine the effects of phosphine ligand basicity on the heats of protonation (DELTA-H(HM)) of the metal in the CpIr(CO)(PR3) and Fe(CO)3(PR3)2 complexes (PR3 = P(p-ClC6H4)3, PPh3, P(p-MeOC6H4)3, PMePh2, PMe2Ph, PMe3) With CF3SO3H at 25.0-degrees C in 1,2-dichloroethane solvent. The DELTA-H(HM) values of the CpIr(CO)(PR3) compounds range from -29.2 (PR3 = P(p-ClC6H4)3) to -33.2 kcal mol-1 (PR3 = PMe3), and those of the Fe(CO)3(PR3)2 compounds range from -14.1 (PR3 = PPh3) to -23.3 kcal mol-1 (PR3 = PMe3). Linear correlations of metal basicity (DELTA-H(HM)) with phosphine basicity (DELTA-H(HP) or pK(a)) show that increasing the phosphine basicity by 1.0 kcal mor, increases the CpIr(CO)(PR3) basicity by 0.298 kcal mol-1 and the Fe(CO)3(PR3)2 basicity by 0.458 kcal mol-1 per PR3 ligand. For both the Ir and Fe complexes, the DELTA-H(HM) values correlate linearly with the respective nu(CO) values. The effect of the indenyl, CS, and CO ligands on the basicities (AH(HM)) of (indenyl)Ir(CO)(PPh3), CpIr(CS)(PPh3), and Cp*Ir(CO)2 are also discussed.

  DOI：

  10.1021/ja00024a026
• 作为产物：
  描述：

  (2-methyl-4-phenyl-1-oxabuta-1,3-diene)tricarbonyliron(0) 、 三(4-甲氧苯基)膦 以 四氢呋喃 为溶剂， 以78%的产率得到[(p-CH3OC6H4)3P]2Fe(CO)3
  参考文献：
  名称：

  Heats of protonation of transition-metal complexes: the effect of phosphine basicity on metal basicity in CpIr(CO)(PR3) and Fe(CO)3(PR3)2

  摘要：

  Titration calorimetry has been used to determine the effects of phosphine ligand basicity on the heats of protonation (DELTA-H(HM)) of the metal in the CpIr(CO)(PR3) and Fe(CO)3(PR3)2 complexes (PR3 = P(p-ClC6H4)3, PPh3, P(p-MeOC6H4)3, PMePh2, PMe2Ph, PMe3) With CF3SO3H at 25.0-degrees C in 1,2-dichloroethane solvent. The DELTA-H(HM) values of the CpIr(CO)(PR3) compounds range from -29.2 (PR3 = P(p-ClC6H4)3) to -33.2 kcal mol-1 (PR3 = PMe3), and those of the Fe(CO)3(PR3)2 compounds range from -14.1 (PR3 = PPh3) to -23.3 kcal mol-1 (PR3 = PMe3). Linear correlations of metal basicity (DELTA-H(HM)) with phosphine basicity (DELTA-H(HP) or pK(a)) show that increasing the phosphine basicity by 1.0 kcal mor, increases the CpIr(CO)(PR3) basicity by 0.298 kcal mol-1 and the Fe(CO)3(PR3)2 basicity by 0.458 kcal mol-1 per PR3 ligand. For both the Ir and Fe complexes, the DELTA-H(HM) values correlate linearly with the respective nu(CO) values. The effect of the indenyl, CS, and CO ligands on the basicities (AH(HM)) of (indenyl)Ir(CO)(PPh3), CpIr(CS)(PPh3), and Cp*Ir(CO)2 are also discussed.

  DOI：

  10.1021/ja00024a026

文献信息

• Triphenyl-phosphine and -arsine analogues which facilitate the electrospray mass spectrometric analysis of neutral metal complexes
  作者：Corry Decker、William Henderson、Brian K. Nicholson

  DOI：10.1039/a906010c

  日期：——

  The six triarylphosphines PPhn(C6H4OMe-p)3–n and PPhn(C6H4NMe2-p)3–n(n = 0–3) and the arsine As(C6H4OMe-p)3 (L) have been synthesized and examined for their use in the electrospray mass spectrometric (ESMS) study of metal complexes. This has been tested with selected examples of the complexes [Mo(CO)4L2], [Fe(CO)3L2], [Fe(CO)4L], [Ru3(CO)9L3], cis-[PtCl2L2], [PdCl2L2] and [AuCl(L)]. All of the metal carbonyl complexes of these ligands gave [M + H]+ ions in their spectra, while in contrast the analogous PPh3 complexes do not, suggesting that these electrospray-friendly ligands should be useful for the characterisation of a wide range of complexes by ESMS. The incorporation of the ligands into metal halide complexes however does not allow the observation of [M + H]+ ions, with ions formed by the previously reported halide-loss mechanism being the only ones observed.

  已经合成了六种三芳基膦 PPhn(C6H4OMe-p)3–n 和 PPhn(C6H4NMe2-p)3–n（n = 0–3）以及胂 As(C6H4OMe-p)3 (L)，并对其在电喷雾质谱（ESMS）研究金属配合物中的应用进行了考察。通过选择的配合物实例进行了测试，包括 [Mo(CO)4L2]、[Fe(CO)3L2]、[Fe(CO)4L]、[Ru3(CO)9L3]、顺式-[PtCL2L2]、[PdCL2L2] 和 [AuCl(L)]。所有这些配体的金属羰基配合物在其谱图中都生成了 [M + H]+ 离子，而相比之下，类似的 PPh3 配合物则没有，这表明这些对电喷雾友好的配体应有助于通过 ESMS 表征广泛的配合物。然而，将这些配体结合到金属卤化物配合物中并不能观察到 [M + H]+ 离子，仅能观察到之前报道的卤素损失机制形成的离子。
• Proton sponge phosphines: electrospray-active ligands
  作者：Nicola J. Farrer、Robert McDonald、J. Scott McIndoe

  DOI：10.1039/b609561e

  日期：——

  Attachment of a proton sponge to a phosphine ligand renders neutral complexes of the ligand highly amenable to analysis by electrospray ionisation mass spectrometry (ESI-MS). The ligand 1,8-bis(dimethylamino)naphthyldiphenylphosphine (3) is extremely efficient and highly selective in forming exclusively [M + H]+ ions, which may be detected at very low concentration. Ionisation efficiency of 3 in the presence of H+ approached 100%. The bis-substituted ligand bis1,8-bis(dimethylamino)naphthyl}phenylphosphine (4) was also prepared and characterised, as were Fe(CO)4- (5c), Mn(η5-C5H4Me)(CO)2- (6) and W(CO)5- (7) complexes of 3. Compounds 3, 3·HBr·EtOH, 4 and 5c were all structurally characterised.

  质子海绵与膦配体的连接使得配体的中性络合物非常适合通过电喷雾电离质谱（ESI-MS）进行分析。配体 1,8-双（二​​甲氨基）萘基二苯基膦 (3) 在专门形成 [M + H]+ 离子方面非常有效且具有高度选择性，可以在非常低的浓度下检测到。在 H+ 存在下 3 的电离效率接近 100%。还制备并表征了双取代配体双1,8-双(二甲基氨基)萘基}苯基膦(4)，以及Fe(CO)4-(5c)、Mn(η5-C5H4Me)(CO)2- (6) 和W(CO)5-(7) 3 的配合物。化合物3、3·HBr·EtOH、4 和5c 均进行了结构表征。
• Inoue, Hidenari; Takei, Tomoko; Heckmann, Gernot, Zeitschrift fur Naturforschung, B: Chemical Sciences
  作者：Inoue, Hidenari、Takei, Tomoko、Heckmann, Gernot、Fluck, Ekkehard

  DOI：——

  日期：——