(η5-pentamethylcyclopentadienyl)(η6-{2(2)}(1,4)cyclophane)iridium(III) bis(tetrafluoroborate) | 114300-48-0

• 英文名称: (η5-pentamethylcyclopentadienyl)(η6-{2(2)}(1,4)cyclophane)iridium(III) bis(tetrafluoroborate)
• 英文别名: [Ir(η6-[2.2]-paracyclophane)(η5-C5Me5)](BF4)2
• CAS: 114300-48-0
• 化学式: 2BF₄*C₂₆H₃₁Ir
• 分子量: 709.361
• InChiKey: NCOQJNJITXJJGJ-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

• 作为产物：
  描述：

  bis[dichloro(pentamethylcyclopentadienyl)iridium(III)] 、 对二甲苯二聚体 、 silver tetrafluoroborate 以 丙酮 、 三氟乙酸 为溶剂， 以99%的产率得到(η5-pentamethylcyclopentadienyl)(η6-{2(2)}(1,4)cyclophane)iridium(III) bis(tetrafluoroborate)
  参考文献：
  名称：

  [2n] cyclophanes金属配合物钴三联体的合成与性质研究

  摘要：

  DOI：

  10.1021/om00097a021

文献信息

• Syntheses and crystal structures of mononuclear [2.2]paracyclophane complexes of rhodium and iridium supported by the pentamethylcyclopentadienyl ligand [M(η6-pcp)(η5-C5Me5)](BF4)2 (M=Rh and Ir)
  作者：Masahiko Maekawa、Naoki Hashimoto、Takayoshi Kuroda-Sowa、Yusaku Suenaga、Megumu Munakata

  DOI：10.1016/s0020-1693(01)00720-4

  日期：2002.1

  Mononuclear [2.2]paracyclophane complexes of Rh and Ir, [M(eta(6)-pcp)(eta(5)-C5Me5)](BF4)(2) (M = Rh (1) and Ir (2); pcp = [2.2]paracyclophane) were crystallized and their structures were first characterized crystallographically. On both pep complexes the metal atom is bonded to the benzene ring on one side of the pep ligand in the eta(6)-coordination mode. The metal atom is also supported by the eta(5)-C5Me5 ligand to afford a triple-decker sandwich structure. In Rh pep complex I the average Rh-C(pep) and Rh-C(C5Me5) distances are 2.284(2) and 2.161(2) Angstrom, respectively. The average C(pcp) = C(pcp) distance of 1.407(4) Angstrom with the Rh atom is longer than that (1.388(4) Angstrom) without a Rh atom. Similarly, the average Ir-C(pcp) and Ir-C(C5Me5) distances in Ir pcp complex 2 are 2.275(3) and 2.174(3) Angstrom, respectively. The average C(pcp) = C(pcp) distance of 1.410(4) Angstrom with the Ir atom is longer than that (1.388(4) Angstrom) without an Ir atom. It is interesting that the average interannular distances of 2.97 Angstrom for 1 and 2 between two decks of the pep ligand are shorter than that (3.09 Angstrom) of the metal-free pep ligand, indicative of the decrease of the repulsive pi-interaction between benzene rings. The Rh pep complex gave the well-resolved H-1 NMR signals of [Rh(eta(6)-pcp)(n(5)-C5Me5)](2+), whereas the Ir pep complex exhibited two kinds of H-1 NMR signals which were assigned as [Ir(eta(6)-pcp)(eta(5)-C5Me5)](2+) and [Ir-2(eta(6)-pcp)(eta(5)-C5Me5)(2)](4+) in (CD3)(2)CO at 23 degreesC. (C) 2002 Elsevier Science B.V. All rights reserved.