690657-57-9Relevant academic research and scientific papers
Experimental and Quantum Chemical Study of the Mechanism of an Unexpected Intramolecular Reductive Coupling of a Bridging Phosphido Ligand and a C 6F5 Group and the Reversible Oxidative Addition of PPh2C6F5
Chaouche, Naima,Fornies, Juan,Fortuno, Consuelo,Kribii, Abdelaziz,Martin, Antonio,Karipidis, Paraskevas,Tsipis, Athanassios C.,Tsipis, Constantinos A.
, p. 1797 - 1810 (2004)
The behavior of intramolecular reductive coupling of a bridging phosphido ligand and a C6F5 group was investigated. The geometric and energetic reaction profiles in a vacuum were also discussed at the B3LYP/LANL2DZ level. The molecular structure of the transition metal diphenylphosphido complex was established using X-ray crystallography. Intrinsic reaction paths (IRP) are traced from the various transition structures to make sure that no further intermediates exist.
