η(5)-cyclopentadienyl(η(5)-pentamethylcyclopentadienyl)iridium(III) hexafluorophosphate | 32679-06-4

• 英文名称: η(5)-cyclopentadienyl(η(5)-pentamethylcyclopentadienyl)iridium(III) hexafluorophosphate
• 英文别名: [(η5-pentamethylcyclopentadienyl)(η5-cyclopentadienyl)iridium] hexafluorophosphate；[(η(5)-C5Me5)Ir(η(5)-C5H5)]PF6；pentamethyliridocenium hexafluorophosphate
• CAS: 32679-06-4
• 化学式: C₁₅H₂₀Ir*F₆P
• 分子量: 537.508
• InChiKey: PRGVRBRVFCSHRD-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：

  η(5)-cyclopentadienyl(η(5)-pentamethylcyclopentadienyl)iridium(III) hexafluorophosphate 在 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 环己烷 为溶剂， 生成 (η4-tetramethylfulvene)(η5-cyclopentadienyl)iridium
  参考文献：
  名称：

  Gusev, Oleg V.; Sergeev, Sergei; Saez, Isabel M., Organometallics, 1994, vol. 13, # 5, p. 2059 - 2065

  摘要：

  DOI：
• 作为产物：
  描述：

  bis[dichloro(pentamethylcyclopentadienyl)iridium(III)] 、 环戊二烯 以 not given 为溶剂， 以81%的产率得到η(5)-cyclopentadienyl(η(5)-pentamethylcyclopentadienyl)iridium(III) hexafluorophosphate
  参考文献：
  名称：

  Gusev, Oleg V.; Sergeev, Sergei; Saez, Isabel M., Organometallics, 1994, vol. 13, # 5, p. 2059 - 2065

  摘要：

  DOI：

文献信息

• Organometallic hydride-transfer agents as reductants for organic semiconductor molecules
  作者：Siyuan Zhang、Karttikay Moudgil、Evgheni Jucov、Chad Risko、Tatiana V. Timofeeva、Seth R. Marder、Stephen Barlow

  DOI：10.1016/j.ica.2019.02.003

  日期：2019.4

  Mc-DMBI-H (Mc = ferrocenyl [Fc], ruthenocenyl [Rc]), and 1,3-dimethyl-2-phenyl-1H-benzo[d]imidazolium tetrakis(3,5-bis(trifluoromethyl))borates, Mc-DMBI+BAr'4– (Mc = Fc, Rc), have recently been reported as intermediates in the synthesis of the dimers (Mc-DMBI)2; here their crystal structures are reported and compared to those of related molecules. The solution reactivity of the Mc-DMBI-H derivatives with

  摘要有机氢化物供体DH，由某些有机基团和由19电子有机金属夹心化合物D2形成的二聚体最近已被广泛用作有机半导体的n型掺杂剂。讨论了两类有机金属DH衍生物（具有茂金属取代基的有机DH衍生物和通过氢化还原18电子D +夹心阳离子而获得的物质）的这种特性，并将其与相应的D2分子的特性进行了比较。1,3-二甲基-2-金属茂基-2,3-二氢-1H-苯并[d]咪唑，Mc-DMBI-H（Mc =二茂铁基[Fc]，钌烯基[Rc]）和1,3-二甲基-最近有报道称2-苯基-1H-苯并[d]咪唑四（3,5-双（三氟甲基））硼酸酯Mc-DMBI + BAr'4–（Mc = Fc，Rc）为中间体二聚体（Mc-DMBI）2; 在此报告了它们的晶体结构，并将其与相关分子的晶体结构进行了比较。Mc-DMBI-H衍生物与富勒烯受体的溶液反应性类似于纯有机芳基-DMBI-H物质。先前报道的（exo-H-η4-五甲基环戊二烯）
• Pentamethylcyclopentadienyl-rhodium and -iridium complexes. Part 18. The reactions of [M(C5Me5)(sol)3][PF6]2(M = Rh or Ir; sol = MeCn, Me2CO, or MeOH) with Mono-, Di-, and Tri-olefins
  作者：Colin White、Stephen J. Thompson、Peter M. Maitlis

  DOI：10.1039/dt9780001305

  日期：——

  give the 1–3:5,6-η-cyclo-octadienyl complexes [M(C5Me5)(C8H11)][PF6](M = Rh or Ir); the iridium complex underwent hydride attack by [BH4]– to give [Ir(C5Me5)(cod)]. Cyclopentadiene, dicyclopentadiene, and propene were all complexed with deprotonation on reaction with (3) to give [M(C5Me5)(C5H5)][PF6], the 1–3:5,6-η-(4,7-methano)-3a,4,7,7a-tetrahydroindenyl complexes, [M(C5Me5)(C10H11)][PF6](M = Rh or

  [M（C 5 Me 5）（MeCN）3 ] [PF 6 ] 2（1; M = Rh或Ir）与双环[2.2.1]庚二烯（nbd）的反应生成[M（C 5 Me 5）（ nbd）（MeCN）] [PF 6 ] 2。用（1）或[M（C 5 Me 5）（Me 2 CO）3 ] [PF 6 ] 2，（3）处理时，八环-1,5-二烯（鳕鱼）经历了质子化反应，得到1 –3：5,6-η-环辛二烯基络合物[M（C 5 Me 5）（C 8 H 11）] [PF 6]（M = Rh或Ir）；铱络合物受到[BH 4 ]的氢化物攻击-生成[Ir（C 5 Me 5）（cod）]。环戊二烯，二环戊二烯和丙烯在与（3）反应时均与去质子化反应络合，得到[M（C 5 Me 5）（C 5 H 5）] [PF 6 ]，1–3：5,6-η- （4,7-甲醇）-3a，4,7,7a-四氢茚基络合物，[M（C 5 Me 5）（C 10 H
• Reduction of iridocenium salts [Ir(η5-C5Me5)(η5-L)]+ (L = C5H5, C5Me5, C9H7); ligand-to-ligand dimerisation induced by electron transfer
  作者：Oleg V. Gusev、Mikhail G. Peterleitner、Mikhail A. Ievlev、Alexander M. Kal'sin、Pavel V. Petrovskii、Larisa I. Denisovich、Nikolai A. Ustynyuk

  DOI：10.1016/s0022-328x(96)06675-2

  日期：1997.3

  Redox properties of iridium complexes [Ir(eta(5)-C5Me5)(eta(5)-L)](+) (1(+), L = C5H5; 2(+), L = C5Me5; 3(+), L = C9H7) were studied by cyclic voltammetry (CV). All three complexes can be reduced to 19-electron radicals 1-3. The stability and reactivity of these radicals depend on the electronic and steric properties of the ligands. The mixture of dimers [(eta(5)-C5Me5)Ir(mu-eta(4):eta(4)-C5H5C5Me5)Ir(eta(5)-C5H5)] (4a) and [(eta(5)-C5H5)Ir(mu-eta(4):eta(4)-C5Me5C5Me5)Ir(eta(5)-C5H5)] (4b) was formed as a result of reduction of 1(+) with Na/Hg in THF. Both chemical and electrochemical reduction of 2(+) gave the dimer [(eta(5)-C5Me5)Ir(mu-eta(4):eta(4)-C5Me5C5Me5)lr(eta(5)-C5Me5)] (5) in low yield. Reduction of 3(+) gave the tetranuclear complex [(eta(5)-C5Me5)Ir(mu-eta(4):eta(5)-C9H7)Ir(mu-eta(4):eta(4)-C5Me5C5Me5)Ir(mu-eta(5):eta(4)-C9H7)Ir(eta(5)-C5Me5)] (6).