{bis(triphenylphosphine)nitrogen}2{(iron)3(carbonyl)11} | 66039-65-4

• 英文名称: {bis(triphenylphosphine)nitrogen}2{(iron)3(carbonyl)11}
• CAS: 66039-65-4
• 化学式: 11CO*2C₃₆H₃₀NP₂*Fe₃
• 分子量: 1552.83
• InChiKey: MJWIMBZJBWXDGI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 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：
  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：

  {bis(triphenylphosphine)nitrogen}2{(iron)3(carbonyl)11} 在 acetyl chloride 作用下， 以 二氯甲烷 为溶剂， 生成 {bis(triphenylphosphine)iminium}(μ-carbonylnonacarbonyl-μ3-COMeCO-triangulo-triferrate)
  参考文献：
  名称：

  具有类碳化物反应性的金属簇烯酮 [Fe3(CO)9(​​CCO)]2- 的合成、X 射线晶体结构和化学性质

  摘要：

  制备双酰化d'un CO ponant dans [Fe 3 (CO) 11 ] 2− suvie d'une scission reductrice。Le complexe reagit avec les sources de H + et CH 3 + pour donner methyne ou ethyne is a l'agregat。练习曲RX

  DOI：

  10.1021/ja00363a017
• 作为产物：
  描述：

  十二羰基三铁 、 双(三苯基正膦基)氯化铵 在 二苯甲酮 、 sodium 作用下， 以 四氢呋喃 为溶剂， 生成 {bis(triphenylphosphine)nitrogen}2{(iron)3(carbonyl)11}
  参考文献：
  名称：

  Shauna Corraine; Atwood, Jim D., Organometallics, 1991, vol. 10, # 8, p. 2647 - 2651

  摘要：

  DOI：

文献信息

• Synthesis and structural study of (PPN)2[Fe4Ru2(CO)22][PPN = bis(triphenylphosphine)iminium cation]. A cluster containing vertex-connected triangles
  作者：Frederic R. Furuya、Wayne L. Gladfelter

  DOI：10.1039/c39860000129

  日期：——

  Reaction of (PPN)2[Fe3(CO)11][PPN = bis(triphenylphosphine)iminium cation] with Fe2Ru(CO)12 gives the hexanuclear dianion [Fe4Ru2(CO)22]2–; X-ray structural analysis shows that this dianion exhibits an unusual arrangement of vertex-connected triangles.

  （PPN）2 [Fe 3（CO）11 ] [PPN =双（三苯基膦）亚胺阳离子]与Fe 2 Ru（CO）12的反应生成六核二阴离子[Fe 4 Ru 2（CO）22 ] 2–；X射线结构分析表明，该二价阴离子显示出与顶点连接的三角形不同寻常的排列方式。
• EPR spectra of Fe3(CO)−11 ions and [Fe3(CO)−11]2 triplet ion-pairs trapped in single crystals of PPN+HFe3(CO)−11
  作者：J.R. Morton、K.F. Preston、J.-P. Charland、P.J. Krusic

  DOI：10.1016/0022-2860(90)80463-t

  日期：1990.6

  Abstract The paramagnetic ion Fe 3 (CO) − 11 was introduced into single crystals of PPN + HFe 3 (CO) − 11 by direct doping or by 60 Co γ-irradiation. EPR spectroscopy shows that the doped crystals contain the impurity Fe 3 (CO) − 11 as isolated electronic doublets, whereas the irradiated crystals contain only pairs of the same radical observed as an electronically excited triplet. The orientation of

  摘要 顺磁离子Fe 3 (CO) - 11 通过直接掺杂或60 Co γ-辐照引入到PPN + HFe 3 (CO) - 11 单晶中。EPR 光谱显示掺杂的晶体包含杂质 Fe 3 (CO) - 11 作为孤立的电子双峰，而被照射的晶体仅包含作为电子激发三重峰观察到的相同自由基对。孤立单自由基的 g 张量的方向清楚地表明它不具有宿主阴离子的 C s 对称性。据信，未成对电子基本上位于末端 Fe 原子之一的 xy 或 x 2 – y 2 轨道中，其结构类似于桥接基团 Fe 3 (CO) 7 μ-PPh 2 和 Fe 2 的结构(CO) - 8 。[Fe 3 (CO) - 11 ] 2 三元组的g 2 矩阵表明该对的成分占据主体的对称相关位点。最大的电子间相互作用几乎沿着单斜主晶的 a 轴发生，|D| = 168 MHz 和 | E | = 3 兆赫。D 值相当于 0.79 nm 的点偶极分离
• Synthesis of mixed-metal clusters by facile metal substitution reactions
  作者：Colin P. Horwitz、Elizabeth M. Holt、Duward F. Shriver

  DOI：10.1021/om00125a031

  日期：1985.6
• Crespi, Ann M.; Went, Michael J.; Sunshine, Steven S., Organometallics, 1988, vol. 7, # 1, p. 214 - 218
  作者：Crespi, Ann M.、Went, Michael J.、Sunshine, Steven S.、Shriver, Duward F.

  DOI：——

  日期：——
• Synthesis, Structure, and Bonding of Butterfly Clusters Containing .mu.4-Oxo and .mu.4-Sulfido Ligands: [(PPh3)2N][Fe3M(CO)12(.mu.4-E)] (E = O, S; M = Mn, Re)
  作者：Cynthia K. Schauer、Suzanne Harris、Michal Sabat、Eric J. Voss、Duward F. Shriver

  DOI：10.1021/ic00124a017

  日期：1995.9

  Metal butterfly clusters that contain quadruply bridging oxo and sulfide ligands, [PPN][Fe(?)3M(CO)(12)(mu(4)-E)] (PPN = (PPh(3)N+, E = O, S; M = Mn, Re), were synthesized by condensation reactions between [PPN](2)[Fe-3(CO)(9)-(mu(3)-E)] (E = O, S) and the electrophilic reagents [Mn(CO)(3)(NCCH3)(3)][PF6] and Re(CO)(5)(OSO2CF3). The structures of [PPN][Fe3Mn(CO)(12)(mu(4)-O)] ([PPN]2) and [PPN][Fe3Mn(CO)(12)(mu(4)-S)] ([PPN]5) were determined by single-crystal X-lay diffraction. The dihedral angle between the two wings of the butterfly is 113 degrees for 2 and 130 degrees for 5; presumably, this structural feature arises from the larger size of sulfur versus oxygen. The structure of 2 clearly indicates that the manganese atom occupies a wingtip site in the butterfly array of metal atoms. All of the butterfly clusters were characterized by variable-temperature C-13 NMR spectroscopy and are assigned structures in which the heterometal occupies a wingtip site. Fenske-Hall molecular orbital calculations were performed on 2 and 5 as well as the parent trinuclear clusters. The electronic structures of [Fe-4(CO)(12)(mu(4)-C)](2-) and [Fe-4(CO)(12)-(mu 4-N)](-), as indicated by Fenske-Hall calculations, are compared to those of 2 and 5 to assess the structural and electronic contributions of oxygen and sulfur to bonding within the butterfly framework. Crystal data for [PPN]2: monoclinic(P2(1)/c), a = 17.100(2) Angstrom, b = 15.890(1) Angstrom, c = 17.417(2) Angstrom, beta = 94.90(1)degrees, Z = 4, R (R(w)) 0.037 (0.044). Crystal data for [PPN]5: triclinic (P (1) over bar), a = 11.314(1) Angstrom, b = 18.214(2) Angstrom, c = 11.309(1) Angstrom, alpha a = 90.46(1)degrees; beta = 90.22(1)degrees, gamma = 89.43(1)degrees, Z = 2, R (R(w)) = 0.037 (0.056).