Fe(η5-C3(C4H9)3P2)(η5-C2(C4H9)2P3)

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 杂芳族化合物
• 英文名称: Fe(η5-C3(C4H9)3P2)(η5-C2(C4H9)2P3)
• 化学式: C₂₅H₄₅FeP₅
• 分子量: 556.348
• InChiKey: KHVCWCCARFOXGD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.41
• 重原子数：
  31
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  tungsten pentacarbonyl tetrahydrofuran 、 Fe(η5-C3(C4H9)3P2)(η5-C2(C4H9)2P3) 以 乙二醇二甲醚 为溶剂， 生成 {Fe(η5-P2C3(t-Bu)3)(η5-P3C2(t-Bu)2)W(CO)5}
  参考文献：
  名称：

  五和hexaphospha二茂铁作为配位体：的晶体和分子结构的[Fe（η 5 -P 3 c ^ 2吨卜2）2 W（CO）5 ]，[铁（η 5 -P 3 c ^ 2吨卜2）（ η 5 -P 2 ç 3吨卜3）W（CO）5 ]和新的三钌羰基簇复杂的[Fe（η 5 -P 3 c ^ 2吨卜2）2的Ru 3（CO）10]含有两个相通η 5 -P 3 c ^ 2吨卜2环系

  摘要：

  在P的两个直接键合的磷原子中的一个所述的孤对电子3 c ^ 2吨卜2环在五或hexaphosphaferrocene络合物的[Fe（η 5 -P 3 c ^ 2吨卜2）（η 5 -P 3 c ^ 2吨卜3）]和[铁（η 5 P 3 c ^ 2吨卜2）2 ]能连接到其它金属中心，得到新颖的二和tetrametallic复合物，其结构通过NMR和单晶X已被阐明射线晶体学研究。

  DOI：

  10.1016/0022-328x(92)80106-8
• 作为产物：
  描述：

  以 二氯甲烷 为溶剂， 以70%的产率得到
  参考文献：
  名称：

  Syntheses and structural characterisation of [Ir₄(CO)₁₁(η¹-L)] and [Ir₄(CO)₁₀(η¹-L)₂]{L =[Fe(η⁵-P₃C₂Bu^t₂)(η⁵-P₂C₃Bu^t₃)] and [Fe(η⁵-C₅H₅)(η⁵-P₃C₂Bu^t₂)]} and [Ir₄(CO)₁₁{µ-η¹: η¹-[Fe(η⁵-C₅H₅)(η⁵-P₃C₂Bu^t₂)]}Ir₄(CO)₁₁] and its facile conversion to [Ir₄H(CO)₁₀{Fe(η⁵-C₅H₅)[η⁵-P₃C(CMe₂CH₂)CBu^t]}Ir₄(CO)₁₁], via an unusual C–H activation

  摘要：

  The reactions of NBu(4)[Ir-4(CO)(11)Br] 1 with equivalent amounts of [Fe(eta(5)-P(3)C(2)Bu(2)(t))(eta(5)-P(2)C(3)Bu(3)(t))] L(1) or [Fe(eta(5)-C5H5)(eta(5)-P(3)C(2)Bu(2)(t))] L(2) in the presence of AgSbF6 gave good yields of [Ir-4(CO)(11)(eta(1)-L)] 2a or 2b, besides [Ir-4(CO)(10)(eta(1)-L)(2)] 3a and 3b, respectively, in which the ligands are bound via the P-A atom. The solid-state structure of 2b, established by an X-ray analysis, is that of the T-d-like isomer, although the low-temperature P-31-{H-1} NMR spectrum showed the presence of both C-3v- and T-d-like isomers in solution. Compound 2a underwent facile conversion to [Ir-4(CO)(10)(mu-eta(2)-L(1))] 4a via CO loss and further interaction of the adjacent P-B atom of L(1). Compound 2b reacted with 1 in the presence of AgSbF6 to yield [Ir-4(CO)(11)-(mu-eta(1):eta(1)-L(2))Ir-4(CO)(11)] 5b, in which the second Ir-4 cluster was ligated via P-C, rather than P-B, according to NMR spectroscopy. This compound underwent clean conversion into [Ir4H(CO)(10){Fe(eta(5)-C5H5)[eta(5)-P3C(CMe(2)CH(2))CBu(t)]}Ir-4(CO)(11)] 6b, via CO loss and oxidative addition of a C-H bond of a tert-butyl substituent in the P(3)C(2)Bu(2)(t) ring. The molecular structure of 6b was determined by a single crystal X-ray diffraction analysis, which showed that C-H activation occurred on the Ir-4 cluster bound via P-C.

  DOI：

  10.1039/dt9960000739

文献信息

• Boehm, Dieter; Hu, Dongqi; Zenneck, Ulrich, Phosphorus, Sulfur and Silicon and the Related Elements, 1993, vol. 77, # 1-4, p. 5 - 8
  作者：Boehm, Dieter、Hu, Dongqi、Zenneck, Ulrich

  DOI：——

  日期：——
• Novel synthesis of di- and tri-phosphollide ions and their ferrocene analogues
  作者：Rainer Bartsch、John F. Nixon

  DOI：10.1016/0022-328x(91)80144-9

  日期：1991.9

  The preparations of di- and tri-phosphollide ions P3C2R2-, P3C2RR'-, P2C3R3-, P2C3R2R'-, P2C3RR'2-, P2C3'R3' (R = (t)Bu, R = (i)Pr) and their pentaphospha-ferrocene analogues are described.
• First examples of η5- and η5  η1-coordination in triphosphorus analogues of ferrocene. Crystal structure of the iron sandwich complex [Fe(η5-C5H5) (η5-C2R2P3)W (CO)5] (R  But)
  作者：Rainer Bartsch、Peter B. Hitchcock、John F. Nixon

  DOI：10.1016/0022-328x(88)80035-4

  日期：1988.2
• Novel C–H activation in a bis-tetrairidium carbonyl complex of the sandwich compound [Fe(η⁵-C₅H₅)(η⁵-P₃C₂Bu^t₂)]: crystal and molecular structures of [Ir₄(CO)₁₁{Fe(η⁵-C₅H₅)(η⁵-P₃C₂Bu^t₂)}] and [HIr₄(CO)₁₀-{µ-Fe(η⁵-C₅H₅)(η⁵-P₃CH₂(CMe₂)CBu^t)}Ir₄(CO)₁₁]
  作者：Maria Helena A. Benvenutti、Peter B. Hitchcock、John F. Nixon、Maria D. Vargas

  DOI：10.1039/cc9960000441

  日期：——

  The syntheses and structural determinations of novel complexes of the type [Ir-4(CO)(11)L] L = [Fe(eta(5)-P(3)C(2)Bu(2)(t))(eta(5)-P(2)C(3)Bu(3)(t))] or [Fe(eta(5)-C5H5)(eta(5)-P(3)C(2)Bu(2)(t))]} and [HIr4(CO)(10)mu-Fe(eta(5)-C5H5)(eta(5)-P3CH2(CMe(2))CBu(t))}Ir-4(CO)(11)], involving an unusual C-H activation, are described.
• First example of a phosphino-phosphinidene complex. Crystal and molecular structure of the novel triruthenium carbonyl cluster complex [Ru3(CO)9(P5C5But 5)] containing a phosphino-phosphinidene, acting as a six-electron donor
  作者：Rainer Bartsch、Pater B. Hitchcock、John F. Nixon

  DOI：10.1039/c39930000311

  日期：——

  The pentaphospha-ferrocene [Fe(η5-P3C2But2)(η5-P2C3But3)], 1, reacts with [Ru3(CO)12], with extrusion of iron, to afford the novel phosphino-phosphinidene triruthenium nonacarbonyl cluster, [Ru3(CO)9(P5C5But5)], whose structure, elucidated by a single crystal X-ray crystallographic study, is related to that of the P5C5But5 cage.