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Synthetic Route of 1038-95-5, An article , which mentions 1038-95-5, molecular formula is C21H21P. The compound – Tri-p-tolylphosphine played an important role in people’s production and life.
The reaction of the phogphine ligands PCy3, P(i-Pr)3, PCyPh2, P(m-Tol)3, P(p-Tol)3 and P(i-Bu)3, with the trinuclear complexes trans-[Pt{M(CO)3Cp}2(PhCN)2] (M = Mo, W; Cp = eta-C5H5 or Cp’ = eta-C5H4CH3) affords the tetranuclear clusters [Pt2M2Cp2(CO)6(PR3) 2] (M = Mo, R3 = Cy3, 1; M = Mo, R3 = Cy3, Cp = Cp’, 2; M = W, R3 = Cy3, 3; M = Mo, R3 = (i-Pr)3, 4; M = W, R3 = (i-Pr)3, 5; M = Mo, R3 = CyPh2, 6; M = Mo, R3 = (m-Tol)3, 7; M = Mo, R3 = (p-Tol)3, 8; M = Mo, R3 = (i-Bu)3, 9). Solution studies using 31P NMR spectroscopy have revealed that clusters 1-5 exist as mixtures of two isomers. The geometry of the metallic skeleton is planar triangulated rhombohedral (PTR) in isomers 1a-5a, like in clusters 6-9, whereas it is tetrahedral in isomers 1b-5b. The isomerization process was shown to be reversible, and its thermodynamics has been determined for some of these clusters. The solution ratio of the two structural isomers (i.e., b:a) depends on the solvent used, the temperature, and the steric and electronic properties of the phosphine ligand. Solvents such as toluene and bulky and basic phosphine ligands (e.g., PCy3) favor the tetrahedral isomer b, whereas more polar solvents (e.g., dichtoromethane) and small and/or less basic phosphine ligands (e.g., P(p-Tol)3, P(i-Bu)3) point to the planar isomer a. Crystal data for 2b: monoclinic, space group P21/n with Z = 4; a = 10.321 (3), b = 24.351 (8), c = 21.368 (6) A; beta – 92.76 (4); V= 5364 A3; R = 0.042, Rw = 0.052. Extended Hueckel molecular orbital calculations have been carried out on the model compound [Pt2Mo2Cp2(CO)6(PH3) 2] in both PTR (a) and tetrahedral (b) geometries. The calculations have shown that, in isomer b, the Mo-Mo sigma* orbital is vacant and the Pt-Pt sigma* one is occupied, while in isomer a Mo-Mo sigma* is occupied and the LUMO has a strong Pt-Pt sigma* antibonding character. They confirmed the equilibrium measurements by revealing the existence of an avoided level crossing between isomers a and b, giving rise to an energy barrier and therefore to two isomers able to coexist in solution.
I hope this article can help some friends in scientific research. I am very proud of our efforts over the past few months and hope to 1038-95-5, help many people in the next few years., Synthetic Route of 1038-95-5
Reference:
Phosphine ligand,
Chiral phosphine ligands in asymmetric synthesis. Molecular structure and absolute configuration of (1,5-cyclooctadiene)-(2S,3S)-2,3-bis(diphenylphosphino)butanerhodium(I) perchlorate tetrahydrofuran solvate