371160-70-2

Upstream product

• 156221-64-6 PdCl₂(bis(o,o'-iPr₂C₆H₃-imino)acenaphthene) 
• 2386-64-3 ethylmagnesium chloride 

Downstream Products

• 371160-78-0 [(2,6-(CH(CH3)2)2C6H3N)2C12H6)Pd(CH2CH2-μ-H)][B(3,5-(CF3)2C6H3)4] 
• 386298-61-9 [(2,6-(CH(CH₃))22C₆H₃N)2C₁₂H₆)Pd(CH₂CH₃)(CH₂CH₂)][HB(C₆F₅)3] 
• 371160-76-8 [(2,6-(CH(CH₃)2)2C₆H₃N)2C₁₂H₆)Pd(CH₂CH₃)(O(C₂H₅)2][B(3,5-(CF₃)2C₆H₃)4] 

Relevant academic research and scientific papers

Measurement of the barrier to β-hydride elimination in a β-agostic palladium-ethyl complex: A model for the energetics of chain-walking in (α-diimine)PdR+ olefin polymerization catalysts

The cationic Pd(II) ethyl complex [[(2,6-(iPr)2C6H3)N=C(An)C(An)=N(2,6 -(iPr)2C6H3)]Pd (CH2CH2-μ-H)]BAr′4 (8), which exhibits a β-agostic interaction, has been synthesized via protonation of the corresponding diethyl complex with H(OiPr2)2BAr′4 (Ar′ = 3,5-(CF3)2C6H3). The fluxional behavior of this ethyl cation has been studied quantitatively using 1H and 13C NMR spectroscopy. Two dynamic processes have been observed: (1) β-H elimination and reinsertion with opposite regiochemistry and (2) rotation about the C-C bond of the ethyl group. β-H elimination is the lower energy process, with ΔG? = 7.1 kcal/mol at -108°C. Eyring analysis of the 13C NMR data indicates ΔH? = 6.1 ± 0.2 kcal/mol and ΔS? = -5.2 ± 0.9 eu. Rotation of the agostic methyl group occurs with ΔG? ca. 8.4 kcal/mol at -108°C. These data provide insight into the energetics of chain walking, which is responsible for the unusual polyolefin microstructures produced using (α-diimine)PdR+ catalysts.