110077-68-4

Upstream product

• 91410-27-4 {Ir(COD)(PPh₃)2}SbF₆ 
• 94249-80-6 (η6-benzene)bis(triphenylphosphine)iridium(I) hexafluoroantimonate 
• 91410-24-1 {(η5-cyclohexadienyl)IrH(PPh3)2}SbF6 

Downstream Products

• 119279-63-9 {IrH₂(3,6-bis(2'-pyridyl)pyridazine)(PPh₃)2}SbF₆ 
• 94249-85-1 Ir(C₆H₅CH₃)(P(C₆H₅)3)2⁽¹⁺⁾*SbF₆^(1-) = [Ir(C₆H₅CH₃)(P(C₆H₅)3)2]SbF₆ 
• 94249-86-2 Ir(C₆H₅CH₂CH₃)(P(C₆H₅)3)2⁽¹⁺⁾*SbF₆^(1-) = [Ir(C₆H₅CH₂CH₃)(P(C₆H₅)3)2]SbF₆ 
• 91410-21-8 (η6-indan)bis(triphenylphosphine)iridium(I) hexafluoroantimonate 
• 170891-73-3 Ir(H)2(P(C₆H₅)3)2(C₉H₆N(HNCOC(CH₃)3))⁽¹⁺⁾*SbF₆^(1-)=[Ir(H)2(P(C₆H₅)3)2(C₉H₆N(HNCOC(CH₃)3))]SbF₆ 
• 170891-71-1 Ir(H)2(P(C₆H₅)3)2(C₉H₆N(NH₂))⁽¹⁺⁾*SbF₆^(1-)=[Ir(H)2(P(C₆H₅)3)2(C₉H₆N(NH₂))]SbF₆ 
• 835889-93-5 trans-bis(triphenylphosphine)(2-o-pyridylphenyl)(acetone)(hydrido)iridium(III) hexafluoroantimonate 
• 119351-16-5 C₄H₂N₂(C₅H₄N)2*H⁽¹⁺⁾*SbF₆^(1-)=C₄H₂N₂(C₅H₄N)2*HSbF₆ 

Relevant academic research and scientific papers

Arene and cyclohexadienyl complexes as intermediates in the selective catalytic dehydrogenation of cyclohexenes to arenes

A catalytic aromatization of cyclohexene to benzene is described by using [IrH2(Me2CO)2L2]SbF6 (L = PPh3) as catalyst in refluxing 1,2-C2H4Cl2. tert-Butylethylene (tbe) acts as hydrogen acceptor; in the absence of tbe, 2 equiv of cyclohexane are formed per mole of benzene. A mechanism is suggested based on the isolation of the proposed intermediates [Ir(η5-C6H7)HL2]SbF6 and [Ir(η6-C6H6)L2]SbF6. Some reactions of these complexes are discussed.

Haptotropic rearrangements and C-H bond activation in indan, indenyl, and naphthalene complexes of iridium

2-Vinylnaphthalene reacts with [IrH2(Me2CO)2L2]A (1, L = PPh3, A = SbF6) to give [Ir(NpEt)L2]A (3, NpEt = 2-ethylnaphthalene). Below 10°C the kinetic product has the metal bound to the ring bearing the ethyl group. Above 10°C a 50:50 mixture of haptomers is formed in each of which the metal is bound to a different ring. Indene reacts with 1 at 25°C to give [Ir(η6-indan)L2] A (4), but at 80°C, 4 dehydrogenates to give [Ir(η5-indenyl)HL32]A (5). Indan reacts with 1 and tert-butylethylene (tbe) at 90°C to give first 4 and then 5, an example of arene precoordination facilitating CH activation on the side chain. 3, 4, and 5 as well as the related [Ir(η5-C6H7)HL2]A all react with tbe and cyclopentane at 100°C to give [IrCpHL2]A, all examples of alkane C-H activation. The conformation of the idenyl ring in 5, deduced from NMR measurements, puts H trans to the fused benzene ring, contradicting the expectation based on steric effects. A rationalization is proposed that also embraces other literature examples. 5 has largely 18-electron character with an η5-indenyl and is chemically rather inert, but 3 has largely 16-electron character with an η4-NpEt ligand and is chemically very reactive. 13C NMR was used to determine the hapticity of the carbocyclic ligands.