195209-81-5Relevant articles and documents
Synthesis and reactivity of Ir(CO)(η2-C2R2)(η5-C 9H7) (R = Ph, Tol). Alkyne coupling and arene C-H bond activation forming a substituted butadiene ligand
Comstock, Matthew C.,Shapley, John R.
, p. 4816 - 4823 (1997)
The reaction of Ir(CO)(η2-C8H14)(η5-C 9H7) with excess C2R2 (R = Ph, Tol) in benzene at reflux leads to a mixture containing Ir(CO(η2-C2R2)(η5-C 9H7) (1a, R = Ph; 1b, R = Tol), Ir2(CO)2(μ-C2R2)(η 5-C9H7)2 (2a, R = Ph; 2b, R = Tol), and Ir(η4-HC4R4R′)(η 5-C9H7) (3a, R = Ph, R′ = Ph; 3b, R = Tol, R′ = Ph). Conducting the reaction in benzene-d6, toluene, or m-xylene leads to 1 and 2 and Ir(η4-DC4R4R′)(η 5-C9H7) (3c, R = Tol, R′ = C6D5) or Ir(η4-HC4R4R′)(η 5-C9H7) (3d, R = Ph, R′ = C6H4Me; 3e, R = Ph, R′ = C6H3Me2; 3f, R = Tol, R′ = C6H4Me). The structures of compounds 2a and 3b have been determined by X-ray diffraction. Compound 2a contains a dimetallacyclobutene framework with the CO ligands adopting a trans orientation with respect to the Ir2C2 mean plane. The indenyl ligands take positions opposite the carbonyls at each Ir center. Compound 3b contains a 1-phenyl-1,2,3,4-tetratolyl1,3-butadiene ligand formed through both alkyne coupling and CH bond activation of the solvent benzene. The direct reactions of 1 with excess Ir(CO)(η2-C8H14)(η5-C 9H7) or C2R2 lead to higher yields of 2 or 3, respectively.
