(C5Me5)Ir(1,4-bis(2,6-dimethylphenyl)-1,4-diaza-1,3-butadiene) | 177702-62-4

• 英文名称: (C5Me5)Ir(1,4-bis(2,6-dimethylphenyl)-1,4-diaza-1,3-butadiene)
• 英文别名: [(Cp*)iridium(III)(N2(2,6-dimethylphenyl)C2H2)]
• CAS: 177702-62-4
• 化学式: C₂₈H₃₅IrN₂
• 分子量: 591.819
• InChiKey: JILXOPJTZWVFCX-GAMUHHASSA-N

反应信息

• 作为反应物：
  描述：

  ferrocenium hexafluorophosphate 、 (C5Me5)Ir(1,4-bis(2,6-dimethylphenyl)-1,4-diaza-1,3-butadiene) 、 乙腈 以 乙腈 为溶剂， 以71%的产率得到[(C5Me5)Ir(MeCN)(1,4-bis(2,6-dimethylphenyl)-1,4-diaza-1,3-butadiene)](PF6)2
  参考文献：
  名称：

  Cp*Ir(dab) (dab = 1,4-Bis(2,6-dimethylphenyl)-1,4-diazabutadiene):  A Coordinatively Unsaturated Six-π-Electron Metallaheteroaromatic Compound?

  摘要：

  1,4-Bis(2,6-dimethylphenyl)-1,4-diaza-1,3-butadiene (dab) forms the structurally characterized iridium(III) complex [Cp*IrCl(dab)](PF6): C28H35CIF6IrN2P, orthorhombic, space group Pnma, a = 16.187(2) Angstrom, b = 15.823(2) Angstrom, c = 11.677(1) Angstrom, V = 2990.8(6) Angstrom(3), Z = 4, and R = 0.0588. On reaction with NaBH3CN this compound does not form an iridium(III) hydride but the coordinatively unsaturated reduced product Cp*Ir(dab): C28H35IrN2, monoclinic, space group P2(1)/n, a = 8.484(2) Angstrom, b = 14.535(3) Angstrom, c = 20.956(4) Angstrom, beta = 98.88(3)degrees, V = 2553.2(9) Angstrom(3), Z = 4, and R = 0.0586. The inverted relation d(CC) (=1.334(15) Angstrom) (d(CN)) (=1.379(13) and 1.366(14) Angstrom) in the dab ligand of Cp*Ir(dab) suggests that the reduction has occurred primarily at that ligand to form an ene-1,2-diamido/iridium(III) moiety or, alternatively, a six-pi-electron metallaheteroaromatic system. Ab initio pseudopotential calculations of model complexes [CpIr(HNCHCHNH)](0/2+) support this description of the bonding.

  DOI：

  10.1021/ic9514814
• 作为产物：
  描述：

  [(C5Me5)Ir(1,4-bis(2,6-dimethylphenyl)-1,4-diaza-1,3-butadiene)]PF6 在 Na[HB(CN)3] 作用下， 以 乙醇 为溶剂， 以71%的产率得到(C5Me5)Ir(1,4-bis(2,6-dimethylphenyl)-1,4-diaza-1,3-butadiene)
  参考文献：
  名称：

  Cp*Ir(dab) (dab = 1,4-Bis(2,6-dimethylphenyl)-1,4-diazabutadiene):  A Coordinatively Unsaturated Six-π-Electron Metallaheteroaromatic Compound?

  摘要：

  1,4-Bis(2,6-dimethylphenyl)-1,4-diaza-1,3-butadiene (dab) forms the structurally characterized iridium(III) complex [Cp*IrCl(dab)](PF6): C28H35CIF6IrN2P, orthorhombic, space group Pnma, a = 16.187(2) Angstrom, b = 15.823(2) Angstrom, c = 11.677(1) Angstrom, V = 2990.8(6) Angstrom(3), Z = 4, and R = 0.0588. On reaction with NaBH3CN this compound does not form an iridium(III) hydride but the coordinatively unsaturated reduced product Cp*Ir(dab): C28H35IrN2, monoclinic, space group P2(1)/n, a = 8.484(2) Angstrom, b = 14.535(3) Angstrom, c = 20.956(4) Angstrom, beta = 98.88(3)degrees, V = 2553.2(9) Angstrom(3), Z = 4, and R = 0.0586. The inverted relation d(CC) (=1.334(15) Angstrom) (d(CN)) (=1.379(13) and 1.366(14) Angstrom) in the dab ligand of Cp*Ir(dab) suggests that the reduction has occurred primarily at that ligand to form an ene-1,2-diamido/iridium(III) moiety or, alternatively, a six-pi-electron metallaheteroaromatic system. Ab initio pseudopotential calculations of model complexes [CpIr(HNCHCHNH)](0/2+) support this description of the bonding.

  DOI：

  10.1021/ic9514814