119455-96-8Relevant academic research and scientific papers
Oxidative addition of phenols to Pd(PCy3)2. Synthesis and structural characterization of trans-[Pd(PCy3)2(H)(OC6H 5)]·C6H5OH (1) and trans-[Pd(PCy3)2(H)(OC6F 5)]·C6F5OH (2)
Di Bugno,Pasquali,Leoni,Sabatino,Braga
, p. 1390 - 1394 (2008/10/08)
The reaction of Pd(PCy3)2 (Cy = cyclohexyl) with C6H5OH and C6F5OH in toluene gives the phenoxopalladium(II) hydride derivatives trans-[Pd(PCy3)2(H)(OAr)]·ArOH (Ar = C6H5 (1), C6F5 (2), respectively). No reaction was observed if alcohols instead of phenols were employed. 1 and 2 react in toluene solution with CO, giving the polynuclear species [Pd(PCy3)(CO)]n together with reductive elimination of ArOH. The structures of 1 and 2 were established by single-crystal X-ray diffraction. The structural models were refined to R = 0.033 (Rw = 0.037) for 6568 independent reflections (1) and to R = 0.040 (Rw = 0.041) for 6618 independent reflections (2). Crystal data: triclinic, space group P1 for both 1 and 2; a = 13.535 (6) A?, b = 16.131 (4) A?, c = 11.759 (5) A?, α = 109.24 (3)°, β = 106.34 (3)°, and γ = 84.21 (3)° for 1; a = 10.423 (6) A?, b = 14.047 (5) A?, c = 17.335 (4) A?, α = 94.38 (2)°, β = 95.16 (3)°, and γ = 103.66 (4)° for 2. In both compounds the oxygen of the phenoxo and pentafluorophenoxo ligands forms a hydrogen bridge with an uncoordinated phenol and pentafluorophenol molecule, respectively. The structural determination has allowed direct location of the hydride atoms in both compounds.
