112896-16-9

Basic information

• Product Name: (Cp)2(hafnium)(μ-PCy2)2(rhodium)H(CO)(PCy3)
• CAS NO: 112896-16-9
• Molecular Weight: 1115.6
• Mol File: 112896-16-9.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: (Cp)2(hafnium)(μ-PCy2)2(rhodium)H(CO)(PCy3)(CAS DataBase Reference)
• NIST Chemistry Reference: (Cp)2(hafnium)(μ-PCy2)2(rhodium)H(CO)(PCy3)(112896-16-9)
• EPA Substance Registry System: (Cp)2(hafnium)(μ-PCy2)2(rhodium)H(CO)(PCy3)(112896-16-9)

Safety Data

• Hazardous Substances Data: 112896-16-9(Hazardous Substances Data)

Upstream product

• 17185-29-4 carbonylhydridetris(triphenylphosphine)rhodium(I) 
• 86013-27-6 hafnocene di((Cy₂)phosphide) 

Relevant articles and documents

Preparation, reactivity, hydroformylation catalysis, and structural studies of the early transition metal/late transition metal heterobimetallic complexes Cp2M(μ-PR2)2M′H(CO)PPh3 (M = Zr, Hf; M′ = Rh, Ir)

A series of complexes of the form Cp2M(μ-PR2)2M′H(CO)PPh3 (1) have been prepared. Complexes 2-7 [M = Zr, R = Ph, M′ = Rh (2); M′ = Ir (3); R = Cy, M′ = Rh, (4); M = Hf, R = Ph, M′ = Ir (5); M′ = Rh (6); R = Cy (7)] have been characterized by IR, UV-vis, 31P{1H} NMR, and 1H NMR spectroscopy. Compound 2 crystallizes in the monoclinic space group P21/n with a = 16.398 (3) A?, b = 20.953 (6) A?, c = 13.560 (4) A?, β = 103.48 (2)°, and Z = 4. The hafnium analogue of 2 (i.e., 6) is isostructural to 2 and also crystallizes in the space group P21/n with a = 16.372 (2) A?, b =20.931 (4) A?, c = 13.588 (3) A?, β = 103.68 (1)° and Z = 4. Substitution reactions involving replacement of the phosphine bound to Rh in 2 with either more basic phosphines (PEt3, PCy3) or CO have been studied. The substitution products Cp2Zr(μ-PPh2)2RhH(CO)PR3 [R = Et (8), R = Cy (9), and Cp2Zr(μ-PPh2)2RhH(CO)2 (10)] have been characterized. Compound 2 is a catalyst precursor for the catalysis of the hydroformylation of 1-hexene. Although the rate of catalysis is slower for this heterobimetallic catalyst than for related monometallic Rh species, the selectivity for terminal aldehydes is significantly greater. Aspects of the mechanism of catalysis are discussed in light of the structural and chemical data, and the role of the early metal in this chemistry is considered.