177702-62-4Relevant academic research and scientific papers
Cp*Ir(dab) (dab = 1,4-Bis(2,6-dimethylphenyl)-1,4-diazabutadiene): A Coordinatively Unsaturated Six-π-Electron Metallaheteroaromatic Compound?
Greulich, Stefan,Kaim, Wolfgang,Stange, Andreas F.,Stoll, Hermann,Fiedler, Jan,Záli?, Stanislav
, p. 3998 - 4002 (1996)
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) ??,b = 15.823(2) ?, c = 11.677(1) ?, V = 2990.8(6) ?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 P21In, a = 8.484(2) ?, b = 14.535(3) ?, c = 20.956(4) ?, β= 98.88(3)°, V = 7553.2(9) ?3, Z = 4, and R = 0.0586. The inverted relation dcc (=1.334(15) ?) ?) 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-π-electron metallaheteroaromatic system. Ab initio pseudopotential calculations of model complexes [CpIr(HNCHCHNH)]0/2+ support this description of the bonding.
