134882-83-0

Basic information

• Product Name: [(1,1,1-tris(diphenylphosphinomethyl)ethane)Ir(C₂H₄)(H)2]BPh₄
• Synonyms: [(1,1,1-tris(diphenylphosphinomethyl)ethane)Ir(C₂H₄)(H)2]BPh₄
• CAS NO: 134882-83-0
• Molecular Weight: 1166.21
• Mol File: 134882-83-0.mol

Chemical Properties

• CAS DataBase Reference: [(1,1,1-tris(diphenylphosphinomethyl)ethane)Ir(C₂H₄)(H)2]BPh₄(CAS DataBase Reference)
• NIST Chemistry Reference: [(1,1,1-tris(diphenylphosphinomethyl)ethane)Ir(C₂H₄)(H)2]BPh₄(134882-83-0)
• EPA Substance Registry System: [(1,1,1-tris(diphenylphosphinomethyl)ethane)Ir(C₂H₄)(H)2]BPh₄(134882-83-0)

Safety Data

• Hazardous Substances Data: 134882-83-0(Hazardous Substances Data)

Upstream product

• 74-85-1 ethene 
• 198328-73-3 [(1,1,1-tris(diphenylphosphinomethyl)ethane)Ir(H₂)(H)2]BPh₄ 
• 134882-80-7 {(triphos)IrH(C₂H₄)} 
• 1493-13-6 trifluorormethanesulfonic acid 
• 143-66-8 sodium tetraphenyl borate 
• 156599-17-6 CH₃C(CH₂P(C₆H₅)2)3Ir(H)2⁽¹⁺⁾*B(C₆H₅)4^(1-)=CH₃C(CH₂P(C₆H₅)2)3Ir(H)2B(C₆H₅)4 

Downstream Products

• 198328-73-3 [(1,1,1-tris(diphenylphosphinomethyl)ethane)Ir(H₂)(H)2]BPh₄ 
• 104453-08-9 (1,1,1-tris(diphenylphosphinomethyl)ethane)Ir(H)3 
• 149670-99-5 (CH₃C(CH₂P(C₆H₅)2)3)Ir(C₄H₆)⁽¹⁺⁾*B(C₆H₅)4^(1-)={(CH₃C(CH₂P(C₆H₅)2)3)Ir(C₄H₆)}{B(C₆H₅)4} 
• 162761-41-3 Ir(CH₃C(CH₂P(C₆H₅)2)3)(C₂H₂)⁽¹⁺⁾*B(C₆H₅)4^(1-)=[Ir(CH₃C(CH₂P(C₆H₅)2)3)(C₂H₂)][B(C₆H₅)4] 
• 162718-95-8 [(MeC(CH2PPh2)3)Ir((1-η(1):4-6-η(3))-hexatriene)]BPh4 
• 134882-90-9 (CH₃C(CH₂P(C₆H₅)2)3)Ir(C₂H₄)2⁽¹⁺⁾*B(C₆H₅)4^(1-) = {(CH₃C(CH₂P(C₆H₅)2)3)Ir(C₂H₄)2}{B(C₆H₅)4} 
• 162718-94-7 Ir(CH₃C(CH₂P(C₆H₅)2)3)(H)2(C₂H₂)⁽¹⁺⁾*B(C₆H₅)4^(1-)=[Ir(CH₃C(CH₂P(C₆H₅)2)3)(H)2(C₂H₂)][B(C₆H₅)4] 
• 142928-63-0 (triphos)Ir(η4-cyclohexadiene)(BPh4) 
• 135006-00-7 (triphos)Ir(η4-benzene)(BPh4) 
• 134882-80-7 {(triphos)IrH(C₂H₄)} 
• 34440-03-4 {(triphos)Ir(CO)2}BPh₄ 
• 134882-86-3 [(1,1,1-tris(diphenylphosphinomethyl)ethane)IrH₂(CO)]BPh₄ 
• 34440-03-4 CH₃C(CH₂P(C₆H₅)2)3Ir(CO)2⁽¹⁺⁾*B(C₆H₅)4^(1-)=CH₃C(CH₂P(C₆H₅)2)3Ir(CO)2B(C₆H₅)4 
• 156599-17-6 CH₃C(CH₂P(C₆H₅)2)3Ir(H)2⁽¹⁺⁾*B(C₆H₅)4^(1-)=CH₃C(CH₂P(C₆H₅)2)3Ir(H)2B(C₆H₅)4 

Relevant articles and documents

Synthesis and Reactivity of the Labile Dihydrogen Complex [{MeC(CH2PPh2)3}Ir(H2)(H) 2]BPh4

The novel Ir(III) nonclassical tetrahydrido complex [(triphos)Ir(H2)(H)2]BPh4 (4BPh4) has been prepared by hydrogenation of the ethene dihydride complex [(triphos)Ir(C2H4)(H)2]BPh4 in either the solid state (PH2 ≥ 1 atm) or CH2Cl2 solution (PH2 ≥ 3 atm) [triphos = MeC(CH2PPh2)3]. Complex 4BPh4 is very labile in solution and can be isolated in the solid state exclusively from solid-gas reactions. Characterization of 4BPh4 in solution can be achieved by high-pressure NMR and IR spectroscopies, however. Various deuterated isotopomers of [(triphos)Ir(H2)(H)2]+ have been obtained in CD2Cl2 solution at low temperature by treatment of the trihydride [(triphos)IrH3] with DOSO2CF3. On the basis of a variety of NMR experiments, the complex cation [(triphos)Ir(H2)(H)2]+ is assigned an octahedral structure where two terminal hydride ligands and a dihydrogen molecule are trans to the phosphorus atoms of a facial triphos ligand. Complex 4BPh4 dissolves in THF at room temperature yielding [(triphos)IrH3], BPh3, and benzene; a similar reaction occurs in acetone, whereas in C2HCl2 the complex loses H2 converting to the dimers cis- and trans-[(triphos)IrH(μ-H)2HIr(triphos)](BPh4) 2.

Molecular solid-state organometallic chemistry of tripodal (polyphosphine)metal complexes. Catalytic hydrogenation of ethylene at iridium

The solid-gas reactions of [(tripohs)Ir(H)2(C2H4)]BPh4 (1) with CO, C2H4, and H2 are described [triphos = MeC(CH2PPh2)3]. The gaseous reactants promote the elimination of ethane from 1 and the formation of [(triphos)Ir(CO)2]BPh4, [(triphos)Ir(C2H4)2]BPh4, and [(triphos)Ir(H)2]BPh4, respectively. The latter 16-electron species is isolable in the solid state at temperatures 2]+ dimerizes in the solid state to give the tetrahydride [(triphos)HIr(μ-H)2HIr(triphos)]2+. Dimerization is avoided when the unsaturated fragment is incorporated into the lattice of a polyoxometalate cluster such as PW12O403-. The complex [(triphos)Ir(H)2(C2H4)]BPh4 is an effective catalyst for the hydrogenation of ethylene in the solid state at 60 °C. Comparisons are made with analogous fluid solution-phase systems.

Assembling ethylene, alkyl, hydride, and CO ligands at iridium

The iridacyclopropane complex [(tripos)Ir(Cl)(C2H4)] is the starting point to synthesize a number of stable iridium complexes containing various combinations of participative ligands such as hydride, ethylene, alkyls and heteroalkyls, alkynes, and carbon monoxide: Ir(H)(C2H4), Ir(H)2(C2H4), Ir(C2H5)(C2H4), Ir(CO)2, Ir(H)(C2H5)(CO), Ir(H)2(CO), Ir(H)2(CH2CH2PEt3), Ir(H)3, Ir(H)2(C2H5), Ir(H)2(C3H7), Ir(C2H4)2, Ir(RC≡CR), IrH(μ-H)2HIr, and IrH(μ-Cl)2HIr. Due to the tripodlike structure of the ligand MeC(CH2PPh2)3 (triphos), all the complexes invariably exhibit a facial arrangement of the phosphorus and non-phosphorus ligands. The contemporaneous availability of so many related species has allowed a comparative experimental study on several important reactions. These include (i) reductive elimination of C-H and H-H bonds from dihydride alkyl complexes, (ii) reductive elimination of H-H bonds vs hydride migration in dihydride ethylene species, (iii) nucleophilic additions to coordinated double bonds, (iv) phosphine arm dissociation in triphos complexes, and β-H elimination vs C-H bond reductive elimination in hydride alkyl complexes. In most instances, such reactions are characterized by stereo- and chemoselectivity. Valuable information on the role played by the nature of the metal and of the phosphine ligands in determining the reactivity has been provided by a comparison among strictly related Rh and Ir complexes containing either triphos or three comparable monophosphines.